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Glycine ethyl ester hydrochloride

CAS：623-33-6
MW:139.579
MF：C4H10ClNO2

Glycine ethyl ester hydrochloride, with the chemical formula C4H9NO2·HCl and CAS registry number 623-33-6, is a compound commonly used in organic synthesis. This white crystalline powder is a derivative of glycine and ethyl ester, and it is characterized by its hydrochloride salt form. Glycine ethyl ester hydrochloride is often utilized as a reagent in various chemical reactions, serving as a precursor for the synthesis of other compounds. It can also be used as a building block in the production of pharmaceuticals and agrochemicals. Additionally, this compound has been studied for its potential applications in the field of medicine, including its role in drug delivery systems and as a precursor for the synthesis of bioactive molecules. Overall, glycine ethyl ester hydrochloride plays a significant role in the development of new compounds and has a wide range of applications in the chemical industry.

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Names and ldentifier
Properties
Use and Manufacturing
Safety and Handling
Msds
NMR Spectrum
Other Information
Computational chemical data
Related Questions
Realated Product Infomation

1. Names and Identifiers

1.1 Name: Glycine ethyl ester hydrochloride

1.2 Synonyms: 2-Aminoacetic acid ethyl·hydrochloride; 2-Ethoxy-2-oxoethanaminium; EINECS 210-787-4; Ethanaminium, 2-ethoxy-2-oxo-; Ethyl 2-aminoacetate, hydrochloride; ethyl 2-aminoacetate,hydrochloride; Ethyl glycinate hydrochloride; glycine ethyhydnchlordeester; glycine, ethyl ester, conjugate acid; Glycineethylester·HCl,Glycineethylesterhydrochloride; Glycineethylesterhydrochlor; Glycocollethylesterhydrochloride; H-Gly-OEt·HCl; H-Gly-OEt.HCl; MFCD00012871; usafdo-10;

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1.3 CAS No.: 623-33-6

1.4 CID: 2723640

1.5 EINECS: 210-787-4

1.6 Molecular Formula: C4H10ClNO2

1.7 Inchi: InChI=1S/C4H9NO2.ClH/c1-2-7-4(6)3-5;/h2-3,5H2,1H3;1H

1.8 InChkey: TXTWXQXDMWILOF-UHFFFAOYSA-N

1.9 Canonical Smiles: CCOC(=O)CN.Cl

1.10 Isomers Smiles: CCOC(=O)CN.Cl

2. Properties

2.1 Solubility: >1000 g/L (20 °C)

2.2 Appearance: White Crystalline Powder

2.3 Storage: Hygroscopic. Store under Nitrogen. Ambient temperatures.

2.4 Chemical Properties: Crystalline

2.5 Color/Form: White

2.6 Odor: Odorless

2.7 PH: 2.9 (10g/l, H2O, 20℃)

2.8 pKa: pK1:7.66(＋1) (25°C)

2.9 Water Solubility: H2O: >1000 g/L (20 oC)

2.10 Stability: Stable under normal temperatures and pressures.

2.11 StorageTemp: 2-8°C

3. Use and Manufacturing

3.1 Description

Glycine ethyl ester hydrochloride, with the chemical formula C4H9NO2·HCl, has the CAS number 623-33-6. It appears as a white crystalline solid with a slight odor. The basic structure of glycine ethyl ester hydrochloride consists of an ethyl ester group attached to the amino acid glycine, with a chloride ion. This compound is soluble in water. Glycine ethyl ester hydrochloride is considered to be relatively safe, with no significant safety concerns reported. However, as with any chemical, it is important to handle it with care and follow proper safety precautions when working with it.

Applicable Fields

Pharmaceuticals: Glycine ethyl ester hydrochloride is commonly used in the pharmaceutical industry. It is used as a building block in the synthesis of various pharmaceutical compounds. The mechanism of action in this field involves its ability to react with other compounds to form new chemical structures that have desired pharmacological properties.

Organic Synthesis: This compound is also used in organic synthesis. It can be used as a reagent or catalyst in various chemical reactions. The mechanism of action in organic synthesis depends on the specific reaction being carried out, but generally involves the interaction of glycine ethyl ester hydrochloride with other reactants to facilitate the formation of desired products.

Storage

Conditions: Store in a cool and dry place.

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3.2 Methods of Manufacturing: Can be prepared with glycine or chloroacetic acid as raw materials.?It is described as follows.?Glycine is used as the raw material method. Dry hydrogen chloride gas is passed into absolute ethanol to make hydrogen chloride ethanol solution, then glycine is added, heated and stirred for esterification, and the reaction temperature is controlled at 80-85°C. After all the glycine is dissolved, stirring A few minutes, while hot, move the reaction solution to the crystallization pot, cool the crystallization, and filter to obtain ethyl glycine hydrochloride.?Reaction equation: NH2CH2COOH+C2H5O[HCl]→NH2CH2COOC2H5·HCl can also be added to the reactor with stirring glycine and absolute ethanol, heated to 60 ℃, through the introduction of hydrogen chloride gas, hydrogen chloride until the reactants are completely dissolved, continue After passing hydrogen chloride to recrystallization, it is the end point. The reaction solution is transferred to the crystallization pot, while stirring, the crystal is cooled and filtered, washed with absolute ethanol, and dried to obtain ethyl glycine hydrochloride.?Chloroacetic acid is used as the raw material method. Chloroacetic acid, urotropine and absolute ethanol are added to the reactor. At 45℃, ammonia gas is passed to make pH=8～8.5. The rate of ammonia gas is controlled to maintain the reaction temperature at Between 40 and 65°C, after the ammonia gas has been passed through, the reaction is held at 65°C for 1 hour, then the temperature is reduced to 30°C, and the hydrogen chloride-anhydrous ethanol solution is added dropwise.?After the dropwise addition, react at 70℃ for 2h, then filter hot at 62～65℃ to separate the ammonium chloride crystals. The filtrate is placed in a crystallization pot, cooled to 10℃, crystallized while stirring, the crystals are filtered, Dry to give ethyl glycine hydrochloride.?Reaction equation: ClCH2COOH+NH3[ethanol]→NH2CH2COOH[C2H5OH]→[HCl]NH2CH2COOH·HCl

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3.3 Purification Methods: Crystallise it from absolute EtOH or EtOH/Et2O. [Marvel Org Synth Coll Vol II 310 1943, Beilstein 4 II 780, 4 III 3 75.] Glycine ethyl ester hydrochloride Preparation Products And Raw materials Raw materials

3.4 Usage: As a Glycine (G615990) ester, Glycine ethyl ester hydrochloride can be used as parakeratosis inhibitor and external composition for skin.

4. Safety and Handling

4.1 Report: Reported in EPA TSCA Inventory.

4.2 Safety: Moderately toxic by intraperitoneal route. When heated to decomposition it emits toxic vapors of NO_x, HCl, and Cl^?.
Hazard Codes:?Xi
Risk Statements: 41
R41:Risk of serious damage to the eyes.
Safety Statements: 26-39-24/25
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.?
S39:Wear eye / face protection.?
S24/25:Avoid contact with skin and eyes.
WGK Germany: 3
RTECS: MC0525000
HS Code: 29224995

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4.3 Sensitive: Hygroscopic

4.4 Specification

?Glycine ethyl ester hydrochloride , with CAS number of 623-33-6, can be called Glycineethylesterhydrochlor ; Glycocollethylesterhydrochloride ; usafdo-10 ; H-gly-oet HCl ; Glycine ethyl ester ; Glycine ethyl ester HCl ; Glycine ethyl ester hydrochloride ; Glycine-oet HCl .

?Glycine ethyl ester hydrochloride (CAS NO.623-33-6) is pesticide and pharmaceutical intermediates, also used in biochemical research. It?has been prepared by the action of absolute alcohol and hydrogen chloride on glycine;from glycyl chloride and alcohol;by the action of ammonia or hexamethylenetetramine on chloroacetic acid, and subsequent hydrolysis with alcoholic hydrochloric acid; by the action of hydrogen chloride and alcohol onmethyleneaminoacetonitrile;and by the reduction of ethyl cyanoformate or the corresponding imido ester hydrochloride.

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4.5 Toxicity

???

ipr-mus LD50:750?mg/kg

???

NTIS** ?? National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) AD277-689 .

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5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Serious eye damage, Category 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Danger
Hazard statement(s)	H318 Causes serious eye damage
Precautionary statement(s)
Prevention	P280 Wear protective gloves/protective clothing/eye protection/face protection.
Response	P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. P310 Immediately call a POISON CENTER/doctor/\u2026
Storage	none
Disposal	none

2.3 Other hazards which do not result in classification

none

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6. NMR Spectrum

13C NMR : in D2O

1H NMR : 400 MHz in D2O

1H NMR : 90 MHz in D2O

IR : KBr disc

Raman : 4880 A,200 M,powder

Mass

7. Synthesis Route

623-33-6Total: 18 Synthesis Route

56-40-6 925 Suppliers

623-33-6 263 Suppliers

637-81-0 38 Suppliers

623-33-6 263 Suppliers

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8. Precursor and Product

precursor:

64-17-5

77385-90-1

626-35-7

56-40-6

637-81-0

170622-26-1

85231-98-7

861366-27-0

64269-79-0

14011-27-9

product:

3154-51-6

461-72-3

105-39-5

637-81-0

106-57-0

459-73-4

936-12-9

623-73-4

107-10-8

9. Computed Properties

Molecular Weight：139.579g/mol
Molecular Formula：C₄H₁₀ClNO₂
Compound Is Canonicalized：True
XLogP3-AA：139.0400063
Monoisotopic Mass：139.0400063
Complexity：62.7
Rotatable Bond Count：3
Hydrogen Bond Donor Count：2
Hydrogen Bond Acceptor Count：3
Topological Polar Surface Area：52.3
Heavy Atom Count：：8
Defined Atom Stereocenter Count：0
Undefined Atom Stereocenter Count：0
Defined Bond Stereocenter Count：0
Undefined Bond Stereocenter Count：0
Isotope Atom Count：0
Covalently-Bonded Unit Count：2
CACTVS Substructure Key Fingerprint：AAADccBiMAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAQAAAAAADhgAYCCABABAAIAACQCAAAAAAAAAAAAICAAAACAAAAAAADAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

10.Other Information

Usage: Glycine ethyl ester (GEE) is used in conjunction with N-(3-Dimethylaminopropyl)-N?-ethylcarbodiimide (EDC) for carboxyl-foot printing studies of proteins. The GEE/EDC protocol effects specific derivatization of glutamate and aspartate carboxyl side chains on intact proteins. This reaction is readily done under aqueous conditions at physiological pH. It is mainly used as a pharmaceutical raw material. Glycine ethyl ester hydrochloride is an important intermediate for preparing chrysanthemic acid or two chlorine chrysanthemic acid and is mainly used in the synthesis of anti-inflammatory drugs, but also can be used for the synthesis of four imidazole acetic acid.

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BRN: 3594034

Chemical Properties: Crystalline

Uses: As a Glycine (G615990) ester, Glycine ethyl ester hydrochloride can be used as parakeratosis inhibitor and external composition for skin.

Purification Methods: Crystallise it from absolute EtOH or EtOH/Et2O. [Marvel Org Synth Coll Vol II 310 1943, Beilstein 4 II 780, 4 III 3 75.]

Storage Conditions: Can be prepared with glycine or chloroacetic acid as raw materials.?It is described as follows.?Glycine is used as the raw material method. Dry hydrogen chloride gas is passed into absolute ethanol to make hydrogen chloride ethanol solution, then glycine is added, heated and stirred for esterification, and the reaction temperature is controlled at 80-85°C. After all the glycine is dissolved, stirring A few minutes, while hot, move the reaction solution to the crystallization pot, cool the crystallization, and filter to obtain ethyl glycine hydrochloride.?Reaction equation: NH2CH2COOH+C2H5O[HCl]→NH2CH2COOC2H5·HCl can also be added to the reactor with stirring glycine and absolute ethanol, heated to 60 ℃, through the introduction of hydrogen chloride gas, hydrogen chloride until the reactants are completely dissolved, continue After passing hydrogen chloride to recrystallization, it is the end point. The reaction solution is transferred to the crystallization pot, while stirring, the crystal is cooled and filtered, washed with absolute ethanol, and dried to obtain ethyl glycine hydrochloride.?Chloroacetic acid is used as the raw material method. Chloroacetic acid, urotropine and absolute ethanol are added to the reactor. At 45℃, ammonia gas is passed to make pH=8～8.5. The rate of ammonia gas is controlled to maintain the reaction temperature at Between 40 and 65°C, after the ammonia gas has been passed through, the reaction is held at 65°C for 1 hour, then the temperature is reduced to 30°C, and the hydrogen chloride-anhydrous ethanol solution is added dropwise.?After the dropwise addition, react at 70℃ for 2h, then filter hot at 62～65℃ to separate the ammonium chloride crystals. The filtrate is placed in a crystallization pot, cooled to 10℃, crystallized while stirring, the crystals are filtered, Dry to give ethyl glycine hydrochloride.?Reaction equation: ClCH2COOH+NH3[ethanol]→NH2CH2COOH[C2H5OH]→[HCl]NH2CH2COOH·HCl

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Mesh Entry Terms: ethyl glycinate

Manufacturing Info: Glycine, ethyl ester, hydrochloride (1:1): ACTIVE

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12. Related Questions

: How to produce Glycine ethyl ester hydrochloride?Background Technology Glycine ethyl ester hydrochloride is an intermediate for pesticide pyrethroids and pharmaceuticals, and it is also used in the synthesis of tetrazole acetic acid and anti-inflamm..; What are the applications of Glycine ethyl ester hydrochloride?Background and overview[1][2] Glycine ethyl ester hydrochloride is white or light yellow needle-like crystal; solubility: easily soluble in water, slightly soluble in ethanol, insoluble in ether. The ..

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