872001-56-4

Basic information

• Product Name: [(S)-3-[5-(4,6-Dimethylpyrimidine-5-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-(3-fluorophenyl)propyl]carbamic acid tert-butyl ester
• Synonyms: [(S)-3-[5-(4,6-Dimethylpyrimidine-5-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-(3-fluorophenyl)propyl]carbamic acid tert-butyl ester
• CAS NO: 872001-56-4
• Molecular Weight: 497.613
• Mol File: 872001-56-4.mol
• Article Data: 2

Chemical Properties

• CAS DataBase Reference: [(S)-3-[5-(4,6-Dimethylpyrimidine-5-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-(3-fluorophenyl)propyl]carbamic acid tert-butyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: [(S)-3-[5-(4,6-Dimethylpyrimidine-5-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-(3-fluorophenyl)propyl]carbamic acid tert-butyl ester(872001-56-4)
• EPA Substance Registry System: [(S)-3-[5-(4,6-Dimethylpyrimidine-5-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-(3-fluorophenyl)propyl]carbamic acid tert-butyl ester(872001-56-4)

Safety Data

• Hazardous Substances Data: 872001-56-4(Hazardous Substances Data)

Upstream product

• 172739-04-7 cis-3-benzyl-3,7-diazabicyclo[3.3.0]octane 
• 376348-74-2 (S)-(1-(3-fluorophenyl)-3-oxopropyl)-carbamic acid tert-butyl ester 
• 1220514-61-3 (4,6-dimethylpyrimidin-5-yl)(hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)methanone benzylmalonic acid salt 
• 1220514-62-4 (S)-3-tert-butoxycfarbonylamino-3-(3-fluorophenyl)propionic acid ethyl ester 
• 528586-28-9 [(S)-1-(3-fluorophenyl)-3-hydroxypropyl]carbamic acid tert-butyl ester 
• 189348-38-7 2,5-dibenzyltetrahydropyrrolo[3,4-c]pyrrole-1,3-dione 
• 897918-33-1 4,6-dimethylpyrimidine-5-carboxylic acid chloride 
• 872001-73-5 (5-benzylhexahydropyrrolo[3,4-c]pyrrol-2-yl)-(4,6-dimethylpyrimidin-5-yl)methanone 
• 204453-07-6 (S)-3-amino-3-(3-fluorophenyl)propionic acid ethyl ester hydrochloride 
• 24424-99-5 di-tert-butyl dicarbonate 
• 451-02-5 ethyl 3-fluorobenzoate 
• 33166-77-7 ethyl 3-(3-fluorophenyl)-3-oxopropanoate 
• 157335-93-8 4,6-dimethylpyrimidine-5-carboxylic acid 
• 946488-42-2 C₂₀H₃₀FN₃O₂ 

Downstream Products

• 872001-57-5 {5-[(S)-3-Amino-3-(3-fluorophenyl)-propyl]hexahydropyrrolo[3,4-c]pyrrol-2-yl}-(4,6-dimethylpyrimidin-5-yl)methanone 
• 1220514-59-9 {5-[(S)-3-Amino-3-(3-fluorophenyl)-propyl]hexahydropyrrolo[3,4-c]pyrrol-2-yl}-(4,6-dimethylpyrimidin-5-yl)methanone tartaric acid salt 
• 1220514-67-9 C₂₇H₃₄FN₅O₃ 
• 1220514-58-8 C₂₇H₃₄FN₅O₃*ClH 

Relevant articles and documents

Practical asymmetric synthesis of RO5114436, a CCR5 receptor antagonist

A practical asymmetric synthesis of a 3,7-diazabicyclo[3.3.0]octane derivative (1), a representative of a new class of potent CCR5 receptor antagonists, is described. The benzylamine stereogenic center of 1 was introduced by a ruthenium-catalyzed asymmetric reductive amination using (R)-MeOBIPHEP as ligand. Aldehyde 4, prepared by Parikh-Doering oxidation, was used without workup in the reductive amination reaction, which not only simplified the process but also overcame the instability of 4. The 3,7-diazabicyclo[3.3.0]octane core was obtained by a [3 + 2] cycloaddition.