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4-(3-CHLORO-PHENYL)-PYRROLIDINE-1,3-DICARBOXYLIC ACID 1-TERT-BUTYL ESTER is a chemical compound that belongs to the family of dicarboxylic acids and pyrrolidines. It is characterized by its white solid appearance and a molecular formula of C16H19ClNO4, with a molecular weight of 327.77 g/mol. 4-(3-CHLORO-PHENYL)-PYRROLIDINE-1,3-DICARBOXYLIC ACID 1-TERT-BUTYL ESTER is soluble in common organic solvents such as ethanol and methanol. Known for its potential pharmacological activities, it is a subject of interest in the pharmaceutical and medical research fields.

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  • (3S,4R)-1-(tert-butoxycarbonyl)-4-(3-chlorophenyl)pyrrolidine-3-carboxylic acid

    Cas No: 939757-91-2

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  • 939757-91-2 Structure
  • Basic information

    1. Product Name: 4-(3-CHLORO-PHENYL)-PYRROLIDINE-1,3-DICARBOXYLIC ACID 1-TERT-BUTYL ESTER
    2. Synonyms: 4-(3-CHLORO-PHENYL)-PYRROLIDINE-1,3-DICARBOXYLIC ACID 1-TERT-BUTYL ESTER;1-BOC-4-(3-CHLORO-PHENYL)-PYRROLIDINE-3-CARBOXYLIC ACID;1-(tert-butoxycarbonyl)-4-(3-chlorophenyl)pyrrolidine-3-carboxylic acid;Trans-1-Boc-4-(3-chlorophenyl)pyrrolidine-3-carboxylic acid;(3R,4S)-1-(tert-Butoxycarbonyl)-4-(3-chlorophenyl)pyrrolidine-3-carboxylic acid
    3. CAS NO:939757-91-2
    4. Molecular Formula: C16H20ClNO4
    5. Molecular Weight: 325.7873
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 939757-91-2.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 464.4°C at 760 mmHg
    3. Flash Point: 234.7°C
    4. Appearance: /
    5. Density: 1.275g/cm3
    6. Vapor Pressure: 2.01E-09mmHg at 25°C
    7. Refractive Index: 1.557
    8. Storage Temp.: 2-8°C
    9. Solubility: N/A
    10. CAS DataBase Reference: 4-(3-CHLORO-PHENYL)-PYRROLIDINE-1,3-DICARBOXYLIC ACID 1-TERT-BUTYL ESTER(CAS DataBase Reference)
    11. NIST Chemistry Reference: 4-(3-CHLORO-PHENYL)-PYRROLIDINE-1,3-DICARBOXYLIC ACID 1-TERT-BUTYL ESTER(939757-91-2)
    12. EPA Substance Registry System: 4-(3-CHLORO-PHENYL)-PYRROLIDINE-1,3-DICARBOXYLIC ACID 1-TERT-BUTYL ESTER(939757-91-2)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 939757-91-2(Hazardous Substances Data)

939757-91-2 Usage

Uses

Used in Pharmaceutical Synthesis:
4-(3-CHLORO-PHENYL)-PYRROLIDINE-1,3-DICARBOXYLIC ACID 1-TERT-BUTYL ESTER is used as an intermediate in the synthesis of various pharmaceuticals and organic compounds. Its unique chemical structure allows it to be a key component in the development of new drugs and therapeutic agents.
Used in Medical Research:
In the medical research field, 4-(3-CHLORO-PHENYL)-PYRROLIDINE-1,3-DICARBOXYLIC ACID 1-TERT-BUTYL ESTER is used for its potential pharmacological activities. Researchers are exploring its properties and applications in the discovery and development of new treatments for various diseases and conditions.
Used in Organic Chemistry:
4-(3-CHLORO-PHENYL)-PYRROLIDINE-1,3-DICARBOXYLIC ACID 1-TERT-BUTYL ESTER is also utilized in organic chemistry for its reactivity and versatility in chemical reactions. Its ability to form esters and other functional groups makes it a valuable compound in the synthesis of complex organic molecules.

Check Digit Verification of cas no

The CAS Registry Mumber 939757-91-2 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 9,3,9,7,5 and 7 respectively; the second part has 2 digits, 9 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 939757-91:
(8*9)+(7*3)+(6*9)+(5*7)+(4*5)+(3*7)+(2*9)+(1*1)=242
242 % 10 = 2
So 939757-91-2 is a valid CAS Registry Number.
InChI:InChI=1/C16H20ClNO4/c1-16(2,3)22-15(21)18-8-12(13(9-18)14(19)20)10-5-4-6-11(17)7-10/h4-7,12-13H,8-9H2,1-3H3,(H,19,20)

939757-91-2SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 16, 2017

Revision Date: Aug 16, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-(3-chlorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid

1.2 Other means of identification

Product number -
Other names -

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:939757-91-2 SDS

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