2-BENZAMIDO-3-(4-(N,N-BIS-(2-CHLOROETHYL)AMINO)PHENYL)PROPIONIC ACID
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2-BENZAMIDO-3-(4-(N,N-BIS-(2-CHLOROETHYL)AMINO)PHENYL)PROPIONIC ACID
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CAS No:
60557-40-6
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Formula:
C20H22Cl2N2O3
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Chemical Name:
2-BENZAMIDO-3-(4-(N,N-BIS-(2-CHLOROETHYL)AMINO)PHENYL)PROPIONIC ACID
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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
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CAS No:
2-BENZAMIDO-3-(4-(N,N-BIS-(2-CHLOROETHYL)AMINO)PHENYL)PROPIONIC ACID Basic Attributes
409.30628
408.10100
DTXSID70647683
2-BENZAMIDO-3-(4-(N,N-BIS-(2-CHLOROETHYL)AMINO)PHENYL)PROPIONIC ACID Use and 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.
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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2-BENZAMIDO-3-(4-(N,N-BIS-(2-CHLOROETHYL)AMINO)PHENYL)PROPIONIC ACID
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