1-(Phenoxycarbonyl)pyrrolidine-2-carboxylic acid

Basic Information

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CAS Number

1161602-22-7

Molecular Formula

C12H13NO4

Molecular Weight

235.24 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

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Boiling Point

413.9±45.0℃ at 760 mmHg

SMILES

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C1CC(N(C1)C(=O)OC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C12H13NO4/c14-11(15)10-7-4-8-13(10)12(16)17-9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2,(H,14,15)

InChIKey

OUPMLYISWFZSNV-UHFFFAOYSA-N

LogP

1.7343999999999997

Topological Polar Surface Area

66.84 Å²

Hydrogen Bond Donor/Acceptor

1 / 5

Complexity

299

Synonyms & References

English

1-(Phenoxycarbonyl)pyrrolidine-2-carboxylic acid
Pyrrolidine-1,2-dicarboxylic acid 1-phenyl ester
1-phenoxycarbonylpyrrolidine-2-carboxylic acid
SMR000010965
CBMicro_021670
Cambridge id 5914894
Oprea1_444798
Oprea1_095894
MLS000035779
1-(Phenoxycarbonyl)proline #
OUPMLYISWFZSNV-UHFFFAOYSA-N
HMS2393J08
BAS 01994627
SY014312
AX8212507
BC4160338
AB0034923
ST50
BIM-0021679.P001
Pyrrolidine-2-carboxylic acid, 1-phenoxycarbonyl-
pyrrolidine-1,2-dicarboxylic acid 1-phenyl ester, AldrichCPR
CS-W002729
A893606
1161602-22-7
AB00100645-01
1-(Phenoxycarbonyl)pyrrolidine-2-carboxylicacid
SR-01000313053-1
CCG-13309
AC-23621
DS-1052
SR-01000313053

MDL Number

MFCD01045469

FAQ

What are the physical and chemical properties of 1-(Phenoxycarbonyl)pyrrolidine-2-carboxylic acid (CAS: 1161602-22-7)?

1-(Phenoxycarbonyl)pyrrolidine-2-carboxylic acid is a white crystalline solid at room temperature. Its molecular weight is approximately 289.23 g/mol. It is slightly soluble in water and moderately soluble in ethanol. The compound exhibits basic properties and can form salts with acids. It is stable under normal conditions but can undergo hydrolysis under acidic or basic conditions.

How is 1-(Phenoxycarbonyl)pyrrolidine-2-carboxylic acid (CAS: 1161602-22-7) typically synthesized?

1-(Phenoxycarbonyl)pyrrolidine-2-carboxylic acid is synthesized through the condensation of phenol and 2-cyano-1-pyrrolidinecarboxylic acid. The reaction is catalyzed by a weak base and typically yields a mixture of products. The process requires careful control of temperature and reaction time to achieve the desired product. The yield is moderate, and the product can be purified by recrystallization.

What industries use 1-(Phenoxycarbonyl)pyrrolidine-2-carboxylic acid (CAS: 1161602-22-7)?

1-(Phenoxycarbonyl)pyrrolidine-2-carboxylic acid is primarily used in the pharmaceutical industry as a precursor for the synthesis of various biologically active compounds. It is also used in the polymer industry for the preparation of functionalized polymers and in the sensor industry for developing chemical sensors due to its reactivity and structural properties.

What precautions should be taken when handling 1-(Phenoxycarbonyl)pyrrolidine-2-carboxylic acid (CAS: 1161602-22-7)?

When handling 1-(Phenoxycarbonyl)pyrrolidine-2-carboxylic acid, it is essential to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be stored in a cool, dry place away from heat sources. It should be handled in a well-ventilated area or fume hood to minimize inhalation risk. In case of a spill, it should be cleaned up immediately using appropriate absorbent materials. For detailed safety information, refer to the Material Safety Data Sheet (MSDS/SDS).