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H-PRO-OTBU

CAS：2812-46-6
MW:171.24
MF：C9H17NO2

H-PRO-OTBU, with the chemical formula C11H23NO2 and CAS registry number 2812-46-6, is a compound known for its applications in the field of organic synthesis. This compound, also referred to as N-tert-Butyloxycarbonyl-L-proline hydrazide, is characterized by its tert-butyloxycarbonyl (Boc) and proline functional groups. It is commonly used as a protecting group for the amino acid proline, allowing for selective reactions in peptide synthesis. H-PRO-OTBU offers stability and compatibility with a wide range of reaction conditions, making it a valuable tool in the synthesis of complex peptides and peptidomimetics. Its use as a protecting group helps to prevent unwanted reactions and ensures the desired chemical transformations occur at the desired sites. Overall, H-PRO-OTBU plays a crucial role in the development of new pharmaceuticals, bioactive compounds, and other important molecules in the field of medicinal chemistry.

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Names and ldentifier
Properties
Use and Manufacturing
Safety and Handling
Msds
Computational chemical data
Realated Product Infomation

1. Names and Identifiers

1.1 Name: H-PRO-OTBU

1.2 Synonyms: (2S)-Pyrrolidine-2-carboxylic acid tert-butyl ester; (S)-2-(tert-Butoxycarbonyl)pyrrolidine; (S)-Proline tert-butyl ester; (S)-PYRROLIDINE-2-CARBOXYLIC ACID TERT-BUTYL ESTER; (S)-tert-Butyl pyrrolidine-2-carboxylate; 1,1-Dimethylethyl L-prolinate; H-PRO-OTBU; H-Pro-OtBu (syrup); L-Proline 1,1-dimethylethyl ester; L-PROLINE T-BUTYL ESTER; L-Proline tert-butyl ester; L-Proline, 1,1-dimethylethyl ester; L-PROLINE-OTBU; L-Pro-OtBu; Proline tert-butyl ester; Proline, tert-butyl ester, L-; PROLINE-OTBU; tert-Butyl (2S)-2-pyrrolidinecarboxylate; tert-Butyl (S)-pyrrolidine-2-carboxylate; tert-Butyl L-prolinate;

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1.3 CAS No.: 2812-46-6

1.4 CID: 6453108

1.5 EINECS: 220-558-0

1.6 Molecular Formula: C9H17NO2

1.7 Inchi: InChI=1S/C9H17NO2/c1-9(2,3)12-8(11)7-5-4-6-10-7/h7,10H,4-6H2,1-3H3/t7-/m0/s1

1.8 InChkey: XJJBXZIKXFOMLP-ZETCQYMHSA-N

1.9 Canonical Smiles: CC(C)(C)OC(=O)C1CCCN1

1.10 Isomers Smiles: CC(C)(C)OC(=O)[C@@H]1CCCN1

2. Properties

2.1 Appearance: Colorless to pale yellow Liquid

2.2 Storage: Keep Cold.

2.3 Chemical Properties: Oil H-PRO-OTBUSupplier

2.4 Color/Form: Colorless to pale yellow

2.5 pKa: 8.32±0.10(Predicted)

2.6 StorageTemp: 2-8°C

3. Use and Manufacturing

3.1 Description

H-PRO-OTBU, with the chemical formula C11H23NO, has the CAS number 2812-46-6. It appears as a colorless liquid with no distinct odor. The basic structure of H-PRO-OTBU consists of an alkyl chain attached to a nitrogen atom. This compound is soluble in organic solvents but insoluble in water. H-PRO-OTBU is considered to be relatively safe for use, with no significant safety concerns reported. However, as with any chemical, proper handling and precautions should be taken to avoid any potential risks.

Applicable Fields

H-PRO-OTBU finds its application in the field of organic synthesis. It is commonly used as a protecting group for amines in organic reactions. The mechanism of action in this context involves the formation of a stable complex between H-PRO-OTBU and the amine group, which prevents unwanted reactions from occurring during the synthesis process. This protecting group can be selectively removed under specific conditions, allowing for the desired chemical transformations to take place.

Storage

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

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4. Safety and Handling

4.1 Safety: Safety Information of L-Proline,1,1-dimethylethyl ester (CAS No. 2812-46-6):
Hazard Codes: Xn
Risk Statements: 22-37/38-41
R22:Harmful if swallowed.
R37/38:Irritating to respiratory system and skin.
R41:Risk of serious damage to the eyes.
Safety Statements: 26-36/37/39-45
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
WGK Germany: 3

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4.2 Specification: Oil
Safety Statements:26-36/37/39-45
26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36/37/39:Wear suitable protective clothing, gloves and eye/face protection
45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)

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5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Skin irritation, Category 2

Serious eye damage, Category 1

Specific target organ toxicity \u2013 single exposure, Category 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Danger
Hazard statement(s)	H302 Harmful if swallowed H315 Causes skin irritation H318 Causes serious eye damage H335 May cause respiratory irritation
Precautionary statement(s)
Prevention	P264 Wash ... thoroughly after handling. P270 Do not eat, drink or smoke when using this product. P280 Wear protective gloves/protective clothing/eye protection/face protection. P261 Avoid breathing dust/fume/gas/mist/vapours/spray. P271 Use only outdoors or in a well-ventilated area.
Response	P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell. P330 Rinse mouth. P302+P352 IF ON SKIN: Wash with plenty of water/... P321 Specific treatment (see ... on this label). P332+P313 If skin irritation occurs: Get medical advice/attention. P362+P364 Take off contaminated clothing and wash it before reuse. 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 P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing. P312 Call a POISON CENTER/doctor/\u2026if you feel unwell.
Storage	P403+P233 Store in a well-ventilated place. Keep container tightly closed. P405 Store locked up.
Disposal	P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

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6. Synthesis Route

2812-46-6Total: 13 Synthesis Route

5497-76-7 101 Suppliers

2812-46-6 63 Suppliers

1148-11-4 232 Suppliers

2812-46-6 63 Suppliers

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7. Precursor and Product

precursor:

129472-19-1

5497-76-7

16881-39-3

71989-31-6

79640-72-5

1245735-71-0

1148-11-4

91237-84-2

212121-62-5

81477-94-3

product:

5497-76-7

75847-73-3

7776-34-3

129223-22-9

76095-16-4

5874-58-8

360045-22-3

217326-48-2

62571-86-2

8. Computed Properties

Molecular Weight：171.24g/mol
Molecular Formula：C₉H₁₇NO₂
Compound Is Canonicalized：True
XLogP3-AA：171.125928785
Monoisotopic Mass：171.125928785
Complexity：172
Rotatable Bond Count：3
Hydrogen Bond Donor Count：1
Hydrogen Bond Acceptor Count：3
Topological Polar Surface Area：38.3
Heavy Atom Count：：12
Defined Atom Stereocenter Count：1
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：AAADceByMAAAAAAAAAAAAAAAAAAAAWAAAAAAAAAAAAAAAAAAAAAAHgAQAAAADGzBgAQCCALABAAIAACQCAAAAAAAAAAAAIGIAAACABIAgCAHAAAEEACQAACYEQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

9. Toltal 59 Suppliers View more

Wuhan Circle Star Chem-medical Technology Co.,Ltd

^1YR

Tel: Update Time:2024/11/15

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Dayang Chem (Hangzhou) Co., Ltd.

^1YR

Tel: Update Time:2024/06/17

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Hangzhou Utanpharma biology co,.Ltd

^1YR

Tel: Update Time:2024/11/13

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GL Biochem (Shanghai) Ltd.

Tel: Update Time:2021/02/02

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Finetech Industry limited.

Tel: Update Time:2018/11/21

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10. Realated Product Infomation