1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-5-oxo-D-proline

Basic Information

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CAS Number

160347-90-0

Molecular Formula

C10H15NO5

Molecular Weight

229.23 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

Melting Point

111-116 °C (dec.)

Water Solubility

Slightly soluble in water.

SMILES

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CC(C)(C)OC(=O)N1C(CCC1=O)C(=O)O

InChI

InChI=1S/C10H15NO5/c1-10(2,3)16-9(15)11-6(8(13)14)4-5-7(11)12/h6H,4-5H2,1-3H3,(H,13,14)/t6-/m1/s1

InChIKey

MJLQPFJGZTYCMH-ZCFIWIBFSA-N

LogP

0.9971000000000001

Topological Polar Surface Area

83.91 Å²

Hydrogen Bond Donor/Acceptor

1 / 6

Complexity

331

Safety Information

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GHS Hazard Pictograms

H319

Hazard Statement

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Sensitiveness

Moisture Sensitive

Synonyms & References

English

160347-90-0
1-(tert-Butoxycarbonyl)-5-oxo-D-proline
(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopyrrolidine-2-carboxylic acid
BOC-D-PYR-OH
DTXSID70595352
EN300-6474687
AS-47588
N-Boc-5-oxo-D-proline
(R)-Boc-5-oxopyrrolidine-2-carboxylic acid
SCHEMBL4174747
MFCD08458561
(2R)-1-[(tert-butoxy)carbonyl]-5-oxopyrrolidine-2-carboxylic acid
(R)-1-(tert-Butoxycarbonyl)-5-oxopyrrolidine-2-carboxylicacid
AMY34367
(R)-5-oxo-1,2-Pyrrolidinedicarboxylic acid tert-butyl ester
(R)-Boc-5-oxopyrrolidine-2-carboxylic acid, 97%
(2R)-1-Boc-5-oxopyrrolidine-2-carboxylic acid
F14483
(R)-(+)-1-Boc-5-oxopyrrolidine-2-carboxylic acid
boc-d-pyroglutamic acid
CS-0053506
MJLQPFJGZTYCMH-ZCFIWIBFSA-N
(R)-1-(tert-Butoxycarbonyl)-5-oxopyrrolidine-2-carboxylic acid
AKOS015892816
A850849
J-009710
(R)-2-(1-(TERT-BUTOXYCARBONYL)-5-OXOPYRROLIDIN-2-YL)ACETIC ACID
1,2-Pyrrolidinedicarboxylicacid, 5-oxo-, 1-(1,1-dimethylethyl) ester, (2R)-
BOC-D-pGlu-OH
Boc-D-pyroglutamic acid
Boc-D-Pyr-OH

MDL Number

MFCD08458561

Customs Code

2933790090

FAQ

What are the physical and chemical properties of 1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-5-oxo-D-proline (CAS: 160347-90-0)?

1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-5-oxo-D-proline has a crystalline form with a molecular weight of approximately 232.31 g/mol. It has a solubility of about 1.3 mg/mL in water. Chemically, it is reactive towards nucleophiles and can undergo esterification and amidation reactions.

How is 1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-5-oxo-D-proline (CAS: 160347-90-0) typically synthesized?

1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-5-oxo-D-proline is synthesized through a multi-step process involving esterification of 2-methyl-2-propanol with D-proline or its derivatives, followed by amidation. Commonly used catalysts include acid or base catalysts, and the reaction typically results in a high yield of over 90%.

What industries use 1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-5-oxo-D-proline (CAS: 160347-90-0)?

1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-5-oxo-D-proline is primarily used in the pharmaceutical industry for the synthesis of peptide-based drugs and as a precursor in organic synthesis. It also has applications in the polymer industry for developing novel polymers and in the sensing and semiconductor industries for specific applications requiring tailored chemical reactivity.

What precautions should be taken when handling 1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-5-oxo-D-proline (CAS: 160347-90-0)?

When handling 1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-5-oxo-D-proline, it is important to use personal protective equipment (PPE) such as gloves, goggles, and lab coats. Work should be conducted in a well-ventilated area or fume hood to avoid inhalation. Spills should be cleaned up using appropriate absorbent materials and proper disposal procedures. Always refer to the Material Safety Data Sheet (MSDS) or Safety Data Sheet (SDS) for detailed handling and safety information.