158991-23-2

Basic information

• Product Name: N-[2-(1H-Indol-3-yl)-1(R)-methyl-1-[1(S)-phenylethylcarbamoyl]ethyl]carbamic acid benzofuran-2-ylmethyl ester
• Synonyms: CI-1021; Cam-4261; PD-154075
• CAS NO: 158991-23-2
• Molecular Formula: C₃₀H₂₉N₃O₄
• Molecular Weight: 495.58333
• Mol File: 158991-23-2.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: N-[2-(1H-Indol-3-yl)-1(R)-methyl-1-[1(S)-phenylethylcarbamoyl]ethyl]carbamic acid benzofuran-2-ylmethyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: N-[2-(1H-Indol-3-yl)-1(R)-methyl-1-[1(S)-phenylethylcarbamoyl]ethyl]carbamic acid benzofuran-2-ylmethyl ester(158991-23-2)
• EPA Substance Registry System: N-[2-(1H-Indol-3-yl)-1(R)-methyl-1-[1(S)-phenylethylcarbamoyl]ethyl]carbamic acid benzofuran-2-ylmethyl ester(158991-23-2)

Safety Data

• Hazardous Substances Data: 158991-23-2(Hazardous Substances Data)

Upstream product

• 98-86-2 acetophenone 
• 15754-20-8 (E)-acetophenone O-methyloxime 
• 2627-86-3 (S)-1-phenyl-ethylamine 

Downstream Products

• 247017-91-0 3-[(R)-2-(Benzofuran-2-ylmethoxycarbonylamino)-2-((S)-1-phenyl-ethylcarbamoyl)-propyl]-indole-1-carboxylic acid 4-(bis-benzyloxy-phosphoryloxymethyl)-benzoyloxymethyl ester 
• 247017-98-7 [(R)-2-{1-[2-(Bis-benzyloxy-phosphoryloxymethyl)-benzoyl]-1H-indol-3-yl}-1-methyl-1-((S)-1-phenyl-ethylcarbamoyl)-ethyl]-carbamic acid benzofuran-2-ylmethyl ester 
• 247017-87-4 3-[(R)-2-(Benzofuran-2-ylmethoxycarbonylamino)-2-((S)-1-phenyl-ethylcarbamoyl)-propyl]-indole-1-carboxylic acid bis-benzyloxy-phosphoryloxymethyl ester 
• 247017-97-6 [(R)-2-[1-(2-Iodomethyl-benzoyl)-1H-indol-3-yl]-1-methyl-1-((S)-1-phenyl-ethylcarbamoyl)-ethyl]-carbamic acid benzofuran-2-ylmethyl ester 
• 247017-86-3 3-[(R)-2-(Benzofuran-2-ylmethoxycarbonylamino)-2-((S)-1-phenyl-ethylcarbamoyl)-propyl]-indole-1-carboxylic acid iodomethyl ester 
• 247017-85-2 3-[(R)-2-(Benzofuran-2-ylmethoxycarbonylamino)-2-((S)-1-phenyl-ethylcarbamoyl)-propyl]-indole-1-carboxylic acid chloromethyl ester 
• 247017-96-5 [(R)-2-[1-(2-Chloromethyl-benzoyl)-1H-indol-3-yl]-1-methyl-1-((S)-1-phenyl-ethylcarbamoyl)-ethyl]-carbamic acid benzofuran-2-ylmethyl ester 

Relevant articles and documents

Synthesis of 14C-labeled S-(-)-1-phenylethylamine and its application to the synthesis of [14C] CI-1021, a potential antiemetic agent(1)

S-(-)-1-[U-ring- 14C]phenylethylamine 3 was synthesized through the enantioselective borane reduction of E-[U-ring-14C]acetophenone oxime methyl ether derived from [U-ring-14C]acetophenone. The overall radiochemical yield was 66.7%. The enantiomeric excess (ee) was 96.60%. Coupling the labeled amine 3 with (R)-N-[(benzo[b]furan-2-ylmethoxy)-carbonyl-2-methyltryptophan 4 provided [R-(R* , S*)] {1-(1H-indole-3-ylmethyl)-1-methyl-2-oxo-2-[(1-[U-ring-14C]phenylethyl) amino]ethyl} carbamic acid benzo[b]furan-2-ylmethyl ester (CI-1021), a potential antiemetic agent.