Encyclopedia / Organic Intermediate / Pharmaceutical Intermediates / Vitamins, Amino Acids and Coenzymes

N-Carbobenzyloxyglycine

CAS：1138-80-3
MW:209.19864
MF：C10H11NO4

N-Carbobenzyloxyglycine, with the chemical formula C10H11NO4 and CAS registry number 1138-80-3, is a compound known for its applications in organic synthesis. This white crystalline solid, also referred to as Z-Gly-OH, is characterized by its carbobenzyloxy and glycine functional groups. It is commonly used as a protecting group for the amino acid glycine, allowing for selective reactions in peptide synthesis. N-Carbobenzyloxyglycine is also utilized in the preparation of various pharmaceutical intermediates and building blocks. Its stable and easily removable protecting group makes it a valuable tool in the field of organic chemistry.

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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: N-Carbobenzyloxyglycine

1.2 Synonyms: {[(Benzyloxy)carbonyl]amino}acetic acid; benzyloxycarbonylaminomethylcarboxylic acid; Benzyloxycarbonylglycine; Benzyloxycarbonyl-glycine; Carbobenzyloxyglycine; CBZ-GLY; CBZ-GLYCINE; Cbz-Gly-OH; EINECS 214-516-0; Glycine, N-(phenylmethoxy)carbonyl-; Glycine, N-[(phenylmethoxy)carbonyl]-; MFCD00002691; N-(Benzyloxycarbonyl)glycine~Z-Gly-OH; N-[(Benzyloxy)carbonyl]glycine; N-Carbobenzoxyglycine; N-Cbz-glycine; N-cbz-glycine crystalline; N-CBZ-Glycine N-Carbobenzyloxy-glycine; N-Cbz-Gly-OH; N-Gly-OH; QV1MVO1R; z-gly; Z-GLYCINE; Z-GLY-OH;

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1.3 CAS No.: 1138-80-3

1.4 CID: 14349

1.5 EINECS: 214-516-0

1.6 Molecular Formula: C10H11NO4

1.7 Inchi: InChI=1S/C10H11NO4/c12-9(13)6-11-10(14)15-7-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,14)(H,12,13)

1.8 InChkey: CJUMAFVKTCBCJK-UHFFFAOYSA-N

1.9 Canonical Smiles: C1=CC=C(C=C1)COC(=O)NCC(=O)O

1.10 Isomers Smiles: C1=CC=C(C=C1)COC(=O)NCC(=O)O

2. Properties

2.1 Solubility: methanol: 0.1?g/mL, clear

2.2 Appearance: slightly beige powder

2.3 Storage: Keep Cold.

2.4 Chemical Properties: N-Carbobenzyloxyglycine is white to light yellow crystal powde

2.5 Color/Form: White

2.6 pKa: 3.98±0.10(Predicted)

2.7 Water Solubility: methanol: 0.1?g/mL, clear

2.8 Stability: Stable under normal temperatures and pressures.

2.9 StorageTemp: Keep in dark place,Sealed in dry,Room Temperature

3. Use and Manufacturing

3.1 Definition: N-Carbobenzyloxyglycine is aderivative of glycine having a benzyloxycarbonyl protecting group attached to the nitrogen.

3.2 Description

N-Carbobenzyloxyglycine, also known as Cas 1138-80-3, is a chemical compound used in various fields. It appears as a white solid with no distinct odor. The molecular formula of N-Carbobenzyloxyglycine is C10H11NO4. This compound is sparingly soluble in water. In terms of safety information, there is limited data available. Therefore, caution should be exercised when handling this chemical.

Applicable Fields

N-Carbobenzyloxyglycine is primarily used in the field of organic synthesis. Its purpose in this field involves its ability to serve as a protecting group for the amino acid glycine. The mechanism of action in organic synthesis involves the temporary attachment of the N-Carbobenzyloxy group to the amino group of glycine, protecting it from unwanted reactions. This allows for selective modification of other functional groups in the molecule.

Storage

ConditionsStore in a cool and dry place, away from direct sunlight.

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3.3 Usage: N-Carbobenzoxyglycine is used in the dipeptide synthesis.

4. Safety and Handling

4.1 Safety Profile: and dyspnea. A severe eye and moderate N-Carbobenzyloxyglycine Preparation Products And Raw materials Raw materials

4.2 Safety: Poison by intravaginal route. Experimental reproductive effects. When heated to decomposition it emits toxic fumes of NOx. See also ESTERS.

4.3 Toxicity

CHEMICAL IDENTIFICATION

RTECS NUMBER :: MB9129000

CHEMICAL NAME :: Glycine, N-carboxy-, N-benzyl ester

CAS REGISTRY NUMBER :: 1138-80-3

BEILSTEIN REFERENCE NO. :: 0526877

LAST UPDATED :: 199701

DATA ITEMS CITED :: 4

MOLECULAR FORMULA :: C10-H11-N-O4

MOLECULAR WEIGHT :: 209.22

WISWESSER LINE NOTATION :: QVN1R&1VQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravaginal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 380 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: JPMSAE Journal of Pharmaceutical Sciences. (American Pharmaceutical Assoc., 2215 Constitution Ave., NW, Washington, DC 20037) V.50- 1961- Volume(issue)/page/year: 68,696,1979 ** REPRODUCTIVE DATA **

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Intraperitoneal

DOSE :: 280 mg/kg

SEX/DURATION :: female 28 day(s) after conception

TOXIC EFFECTS :: Reproductive - Fertility - female fertility index (e.g. # females pregnant per # sperm positive females; # females pregnant per # females mated)

REFERENCE :: JPMSAE Journal of Pharmaceutical Sciences. (American Pharmaceutical Assoc., 2215 Constitution Ave., NW, Washington, DC 20037) V.50- 1961- Volume(issue)/page/year: 70,60,1981

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Intravaginal

DOSE :: 280 mg/kg

SEX/DURATION :: female 28 day(s) pre-mating

TOXIC EFFECTS :: Reproductive - Fertility - female fertility index (e.g. # females pregnant per # sperm positive females; # females pregnant per # females mated)

REFERENCE :: JPMSAE Journal of Pharmaceutical Sciences. (American Pharmaceutical Assoc., 2215 Constitution Ave., NW, Washington, DC 20037) V.50- 1961- Volume(issue)/page/year: 70,60,1981

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5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s)	no data available
Signal word	no data available
Hazard statement(s)	no data available
Precautionary statement(s)
Prevention	no data available
Response	no data available
Storage	no data available
Disposal	no data available

2.3 Other hazards which do not result in classification

no data available

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6. NMR Spectrum

13C NMR : Predict

1H NMR : 400 MHz in DMSO-d6

1H NMR : Predict

Predict 1H proton NMR

IR : KBr disc

IR : nujol mull

Mass

7. Synthesis Route

1138-80-3Total: 71 Synthesis Route

100-51-6 830 Suppliers

1138-80-3 222 Suppliers

501-53-1 149 Suppliers

1138-80-3 222 Suppliers

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8. Precursor and Product

precursor:

501-53-1

100-51-6

2566-19-0

5513-38-2

1738-86-9

1421-69-8

5680-81-9

1145-81-9

1212-53-9

product:

974-17-4

7444-16-8

5680-83-1

3249-01-2

5276-61-9

5540-03-4

2566-20-3

6206-42-4

949-90-6

7535-72-0

9. Computed Properties

Molecular Weight：209.19864g/mol
Molecular Formula：C₁₀H₁₁NO₄
Compound Is Canonicalized：True
Exact Mass：1
XLogP3-AA：209.06880783
Monoisotopic Mass：209.06880783
Complexity：224
Rotatable Bond Count：5
Hydrogen Bond Donor Count：2
Hydrogen Bond Acceptor Count：4
Topological Polar Surface Area：75.6
Heavy Atom Count：：15
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：1
CACTVS Substructure Key Fingerprint：AAADccByOAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHgAQCAAADADhmAYwCILABgCIAiDSGAACAAAgAAAIiICICIkKJiKAMTiIMAAkxgEYqAeAwCAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

10.Other Information

BRN: 526877

Chemical Properties: white to light yellow crystal powde

Uses: N-Carbobenzoxyglycine is used in the dipeptide synthesis.

Definition: ChEBI: A derivative of glycine having a benzyloxycarbonyl protecting group attached to the nitrogen.

Safety Profile: and dyspnea. A severe eye and moderate

Chemical Properties: N-Carbobenzyloxyglycine is white to light yellow crystal powde

Definition: N-Carbobenzyloxyglycine is a derivative of glycine having a benzyloxycarbonyl protecting group attached to the nitrogen.

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12. Related Questions

: What is N-Carbobenzyloxyglycine and its Applications in Biochemistry and Medicine?N-Carbobenzyloxyglycine, also known as N-Cbz-Gly, is a white crystalline powder at room temperature and pressure. It is insoluble in water but soluble in chloroform and alcohol. N-Carbobenzyloxyglycin..

13. Realated Product Infomation

N-carbobenzyloxyglycine cyclopropylamidecas:120436-01-3