1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-proline

Basic Information

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CAS Number

15761-39-4

Molecular Formula

C10H17NO4

Molecular Weight

215.25 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Physical State

White to Yellow Solid

Melting Point

132.0 to 137.0 deg-C

Boiling Point

337.2°C at 760 mmHg

Flash Point

157.7℃

Solubility

Soluble in acetic acid.

Refractive Index

-60 ° (C=2, AcOH)

Specific Rotation

-60.5 º (c=1, HAc)

SMILES

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CC(C)(C)OC(=O)N1CCCC1C(=O)O

InChI

InChI=1S/C10H17NO4/c1-10(2,3)15-9(14)11-6-4-5-7(11)8(12)13/h7H,4-6H2,1-3H3,(H,12,13)/t7-/m0/s1

InChIKey

ZQEBQGAAWMOMAI-ZETCQYMHSA-N

LogP

1.4705000000000001

Topological Polar Surface Area

66.84 Å²

Hydrogen Bond Donor/Acceptor

1 / 5

Complexity

269

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

SCHEMBL67044
BOC proline
(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
N-(tert-butyloxycarbonyl)-(S)-proline
N-(TERT-BUTYLOXYCARBONYL)-D-PROLINE
SMR000472111
N-tert-Butoxycarbonylproline
(S)-1-(tert-butoxycarbonyl)pyrrolidine-2-carboxylic acid
(TERT-BUTOXYCARBONYL)-L-PROLINE
(S)-Boc proline
1,2-Pyrrolidinedicarboxylic acid, 1-(1,1-dimethylethyl) ester, (S)-
1-{[(1,1-dimethylethyl)oxy]carbonyl}-L-proline
AKOS000281182
(S)-1-(tert-butoxycarbonyl)-pyrrolidine-2-carboxylic acid
t-Boc-l-proline
(5)-1-(tert-butoxycarbonyl)-pyrrolidine-2-carboxylic acid
N-Boc proline
boc-(s)-proline
BocProOH
N-alpha-t-Butyloxycarbonyl-L-proline
AC-17113
Z756430266
1,2-Pyrrolidinedicarboxylic acid, 1-(1,1-dimethylethyl) ester, (2S)-
M03314
1-tert-Butoxycarbonyl-L-proline
N-(t-butoxycarbonyl)-L-proline
(S)-1-(tert-butoxycarbonyl) pyrrolidine-2-carboxylic acid
N-T-BUTOXYCARBONYL-L-PROLINE
1-(tert-butoxycarbonyl)-L-proline
(5)-1-(tert-butoxycarbonyl)pyrrolidine-2-carboxylic acid
N-(tert-butoxycarbonyl)-(L)-proline

MDL Number

MFCD00037324

FAQ

What is 1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-proline (CAS: 15761-39-4)?

1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-proline (CAS: 15761-39-4) is a synthetic compound featuring a proline backbone with a tert-butyl ester group. Its molecular formula is C9H17NO4, and it is characterized by high stability and solubility in polar solvents. This compound is commonly used in organic synthesis and pharmaceutical research due to its versatile functional groups and chiral properties.

What are the main uses of 1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-proline (CAS: 15761-39-4)?

1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-proline (CAS: 15761-39-4) is primarily used in pharmaceuticals as a precursor for drug development, particularly in peptide and protein synthesis. It also finds applications in research for creating chiral intermediates and in industrial processes for modifying amino acid derivatives. Its utility stems from the reactivity of the ester group and the importance of L-proline in biochemistry.

Is 1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-proline (CAS: 15761-39-4) safe?

1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-proline (CAS: 15761-39-4) is generally considered safe when handled properly. It has a low toxicity profile, but standard safety precautions apply, such as wearing gloves, goggles, and a lab coat. Avoid inhalation and skin contact, and follow OSHA guidelines for chemical handling to ensure workplace safety.

How should 1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-proline (CAS: 15761-39-4) be stored?

1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-proline (CAS: 15761-39-4) should be stored in a cool, dry place (ideally 2-8°C), protected from light. Keep it in a sealed, airtight container to prevent moisture absorption and degradation. Ensure storage conditions maintain its stability and prolong shelf life, as per chemical safety standards.