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Home > Encyclopedia > β-(2-Amino-2-oxoethyl)-4-chlorobenzenepropanoic acid

β-(2-Amino-2-oxoethyl)-4-chlorobenzenepropanoic acid

β-(2-Amino-2-oxoethyl)-4-chlorobenzenepropanoic acid structure

β-(2-Amino-2-oxoethyl)-4-chlorobenzenepropanoic acid 

structure
  • CAS No:

    1141-23-7

  • Formula:

    C11H12ClNO3

  • Chemical Name:

    β-(2-Amino-2-oxoethyl)-4-chlorobenzenepropanoic acid

  • Synonyms:

    Benzenepropanoic acid,β-(2-amino-2-oxoethyl)-4-chloro-;Glutaramic acid,3-(p-chlorophenyl)-;β-(2-Amino-2-oxoethyl)-4-chlorobenzenepropanoic acid;3-(p-Chlorophenyl)glutaramic acid

  • Categories:

    Pharmaceutical Intermediates  >  Bulk Drug Intermediates

β-(2-Amino-2-oxoethyl)-4-chlorobenzenepropanoic acid Basic Attributes

241.67

241.67

700-336-4

DTXSID60405557

2924299090

Characteristics

80.4

2.47400

1.343 g/cm3

170-171 °C

494.9ºC at 760 mmHg

1.578

1.3E-10mmHg at 25°C

Safety Information

R36/37/38

S26-S36

|Warning|H302 (91.84%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 49 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

β-(2-Amino-2-oxoethyl)-4-chlorobenzenepropanoic acid Use and Manufacturing

Intermediate IV120 g (0.537 mol), Sodium hydroxide aqueous solution 600π1 (15 Ν), The reaction was stirred at 65 ~ 70 ° C for 1.5 h, The reaction was completed, cooled to room temperature, 500 ml of toluene and 700 ml of deionized water were added. The mixture was stirred for 20 minutes, allowed to stand for delamination, and the organic layer was discarded. , The water layer with concentrated hydrochloric acid to adjust the pH value to 2 ~ 3, standing, filtration, solid with water, vacuum 55 ~ 60 ° C dry 5h, To give 116 g of a white solid intermediate V in a yield of 89.5percent

Computed Properties

Molecular Weight:241.67
XLogP3:1.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:241.0505709
Monoisotopic Mass:241.0505709
Topological Polar Surface Area:80.4
Heavy Atom Count:16
Complexity:262
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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