475056-70-3

Basic information

• Product Name: Oxiranecarboxaldehyde, 3-cyclohexyl-, (2S,3R)- (9CI)
• Synonyms: Oxiranecarboxaldehyde, 3-cyclohexyl-, (2S,3R)- (9CI)
• CAS NO: 475056-70-3
• Molecular Formula: C₉H₁₄O₂
• Molecular Weight: 154.20626
• Product Categories: ALDEHYDE
• Mol File: 475056-70-3.mol
• Article Data: 4

Chemical Properties

• Appearance: /
• CAS DataBase Reference: Oxiranecarboxaldehyde, 3-cyclohexyl-, (2S,3R)- (9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: Oxiranecarboxaldehyde, 3-cyclohexyl-, (2S,3R)- (9CI)(475056-70-3)
• EPA Substance Registry System: Oxiranecarboxaldehyde, 3-cyclohexyl-, (2S,3R)- (9CI)(475056-70-3)

Safety Data

• Hazardous Substances Data: 475056-70-3(Hazardous Substances Data)

Upstream product

• 695-12-5 vinylcyclohexane 
• 37868-74-9 (E)-3-cyclohexylpropenal 
• 2043-61-0 cyclohexanecarbaldehyde 
• 111902-61-5 (2R,3R)-3-cyclohexyl-2,3-epoxypropan-1-ol 
• 42134-55-4 3-cyclohexyl-2-propen-1-ol 
• 4484-35-9 3-cyclohexylacrylic acid 
• 705-95-3 3-cyclohexylacrylic acid methyl ester 

Downstream Products

• 1280013-67-3 (2S,3S)-2-(t-butoxycarbonylamino)-3-cyclohexyl-3-hydroxypropanoic acid 
• 1280013-70-8 C₂₆H₃₉N₃O₃ 
• 674782-28-6 C₃₃H₄₃N₃O₆ 
• 499783-91-4 [(2S,3R)-3-cyclohexyloxiran-2-yl]carboxylic acid 
• 461023-63-2 4-[4-(((3S)-1-butyl-3-[(R)-cyclohexyl(hydroxy)methyl]-2,5-dioxo-1,4,9-triazaspiro[5.5]undec-9-yl)methyl)phenoxy]benzoic acid hydrochloride 
• 1616858-79-7 (2R,6S)-5-acetyl-2-cyclohexyl-6-hydroxy-6-methyl-2H-pyran-3(6H)-one 
• 1616858-80-0 (2R,6R)-5-acetyl-2-cyclohexyl-6-hydroxy-6-methyl-2H-pyran-3(6H)-one 

Relevant articles and documents

An organocatalytic one-pot cascade incorporating the Achmatowicz reaction affording 3-pyrone derivatives

The development of an organocatalytic one-pot cascade for the annulation of simple starting materials: α,β-unsaturated aldehydes, hydrogen peroxide, β-carbonyl compounds and NBS to furnish optically active 3-pyrones in good yield and with excellent enanti

Discovery of 4-[4-({(3R)-1-butyl-3-[(R)-cyclohexyl(hydroxy)methyl]-2,5- dioxo-1,4,9-triazaspiro[5.5]undec-9-yl}methyl)phenoxy]benzoic acid hydrochloride: A highly potent orally available CCR5 selective antagonist

Based on the original spirodiketopiperazine design framework, further optimization of an orally available CCR5 antagonist was undertaken. Structural hybridization of the hydroxylated analog 4 derived from one of the oxidative metabolites and the new orally available non-hydroxylated benzoic acid analog 5 resulted in another potent orally available CCR5 antagonist 6a as a clinical candidate. Full details of a structure-activity relationship (SAR) study and ADME properties are presented.