(2S)-4,4-dimethylpyrrolidine-2-carboxylic acid

Basic Information

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CAS Number

891183-50-9

Molecular Formula

C7H13NO2

Molecular Weight

143.19 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Boiling Point

246℃

Density

1.057

Flash Point

103℃

SMILES

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CC1(CC(NC1)C(=O)O)C

InChI

InChI=1S/C7H13NO2/c1-7(2)3-5(6(9)10)8-4-7/h5,8H,3-4H2,1-2H3,(H,9,10)/t5-/m0/s1

InChIKey

BDNWSJQJILLEBS-YFKPBYRVSA-N

LogP

0.45910000000000006

Topological Polar Surface Area

49.33 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

154

Synonyms & References

English

AKOS006344516
EN300-2985715
(2S)-4,4-dimethylpyrrolidine-2-carboxylic acid
4,4-DIMETHYL-L-PROLINE
4,4-Dimethylprolin
(S)-4,4-dimethylpyrrolidine-2-carboxylic acid
AM20080721
AKOS015842170
4,4-DIMETHYL-PROLINE
(S)-4,4-Dimethylpyrrolidine-2-carboxylicacid
L-Proline, 4,4-dimethyl-
4,4-dimethyl proline
SCHEMBL556207
(S)-4,4-Dimethyl-pyrrolidine-2-carboxylic acid
4,4-dimethylproline
A843070
CS-0054465
891183-50-9
BDNWSJQJILLEBS-YFKPBYRVSA-N
DTXSID901008660
AS-50797
P11128
MFCD11501353
(S)-4,4-Dimethylpyrrolidine-2-carboxylic acid
4,4-dimethyl-L-Proline
4,4-Dimethyl-pyrrolidine-2-carboxylic acid ethyl ester
4,4-DiMethyl-L-proline HCl

MDL Number

MFCD11501353

Customs Code

2933990090

FAQ

What are the physical and chemical properties of (2S)-4,4-dimethylpyrrolidine-2-carboxylic acid (CAS: 891183-50-9)?

(2S)-4,4-Dimethylpyrrolidine-2-carboxylic acid is a colorless solid with a molecular weight of 140.22 g/mol. It has a pKa of approximately 2.4 and is moderately soluble in water. This compound is known for its reactivity, particularly in forming esters and amides. It crystallizes in the form of prisms and is stable under normal conditions.

How is (2S)-4,4-dimethylpyrrolidine-2-carboxylic acid (CAS: 891183-50-9) typically synthesized?

(2S)-4,4-Dimethylpyrrolidine-2-carboxylic acid can be synthesized through the reaction of (2S)-4,4-dimethylpyrrolidine with carboxylic anhydride or a carboxylating agent. Common methods involve the use of acetic anhydride in the presence of a Lewis acid catalyst such as aluminum chloride. The yield is typically around 85%, and the reaction is selective for the desired product.

What industries use (2S)-4,4-dimethylpyrrolidine-2-carboxylic acid (CAS: 891183-50-9)?

(2S)-4,4-Dimethylpyrrolidine-2-carboxylic acid is used in pharmaceuticals for the synthesis of certain drug intermediates. It also finds applications in the production of polymers, particularly in the development of biodegradable materials. Additionally, it is utilized in the development of sensors and in semiconductor manufacturing processes.

What precautions should be taken when handling (2S)-4,4-dimethylpyrrolidine-2-carboxylic acid (CAS: 891183-50-9)?

When handling (2S)-4,4-dimethylpyrrolidine-2-carboxylic acid, it is essential to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Storage should be in a cool, dry place away from direct sunlight. Spills should be cleaned up immediately using appropriate absorbent materials. Always consult the Safety Data Sheet (SDS) for detailed handling and disposal procedures.