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Home > Encyclopedia > 2-BENZAMIDO-3-(4-(N,N-BIS-(2-CHLOROETHYL)AMINO)PHENYL)PROPIONIC ACID

2-BENZAMIDO-3-(4-(N,N-BIS-(2-CHLOROETHYL)AMINO)PHENYL)PROPIONIC ACID

2-BENZAMIDO-3-(4-(N,N-BIS-(2-CHLOROETHYL)AMINO)PHENYL)PROPIONIC ACID structure

2-BENZAMIDO-3-(4-(N,N-BIS-(2-CHLOROETHYL)AMINO)PHENYL)PROPIONIC ACID 

structure
  • CAS No:

    60557-40-6

  • Formula:

    C20H22Cl2N2O3

  • Chemical Name:

    2-BENZAMIDO-3-(4-(N,N-BIS-(2-CHLOROETHYL)AMINO)PHENYL)PROPIONIC ACID

  • Synonyms:

    2-benzamido-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoic acid;CTK5B1692;DTXSID70647683;A832778;2-(benzoylamino)-3-{4-[bis(2-chloroethyl)amino]phenyl}propanoic acid;2-Benzamido-3-(4-(N,N-bis-(2-chloroethyl)amino)phenyl)propionic acid;2-BENZAMIDO-3-(4-(N,N-BIS(2-CHLOROETHYL)AMINO)PHENYL)PROPANOIC ACID

2-BENZAMIDO-3-(4-(N,N-BIS-(2-CHLOROETHYL)AMINO)PHENYL)PROPIONIC ACID Basic Attributes

409.30628

408.10100

DTXSID70647683

Characteristics

69.6

3.97110

2-BENZAMIDO-3-(4-(N,N-BIS-(2-CHLOROETHYL)AMINO)PHENYL)PROPIONIC ACID Use and Manufacturing

Methods of Manufacturing

Use aniline and ethylene oxide to react at room temperature with the participation of acetic acid. After hydroxyethylation, N, N-bis(2-hydroxyethyl)aniline is generated, and then chlorinated with phosphorus oxychloride and dimethylformamide. Acylation gives nitrogen mustard benzaldehyde, which is then cyclized with maleuric acid under the action of potassium bicarbonate to give 4-{4-[N, N-bis(2-chloroethyl)amino]benzylidene}- 2-Phenyloxazolin-5-one. The latter is reduced with zinc powder-hydrochloric acid and the ring is opened to obtain the product.

Uses

Intermediate of N-formyl sarcoma.

Computed Properties

Molecular Weight:409.3
XLogP3:4.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:10
Exact Mass:408.1007480
Monoisotopic Mass:408.1007480
Topological Polar Surface Area:69.6
Heavy Atom Count:27
Complexity:458
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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