170080-85-0

Basic information

• Product Name: 3-Cyclohexene-1-carbonyl chloride, 4-methyl-, (S)- (9CI)
• Synonyms: 3-Cyclohexene-1-carbonyl chloride, 4-methyl-, (S)- (9CI)
• CAS NO: 170080-85-0
• Molecular Formula: C₈H₁₁ClO
• Molecular Weight: 158.62534
• Product Categories: ACIDHALIDE
• Mol File: 170080-85-0.mol

Chemical Properties

• Boiling Point: 195.9±29.0 °C(Predicted)
• Appearance: /
• Density: 1.102±0.06 g/cm3(Predicted)
• CAS DataBase Reference: 3-Cyclohexene-1-carbonyl chloride, 4-methyl-, (S)- (9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: 3-Cyclohexene-1-carbonyl chloride, 4-methyl-, (S)- (9CI)(170080-85-0)
• EPA Substance Registry System: 3-Cyclohexene-1-carbonyl chloride, 4-methyl-, (S)- (9CI)(170080-85-0)

Safety Data

• Hazardous Substances Data: 170080-85-0(Hazardous Substances Data)

Upstream product

• 102208-60-6 (S)-4-methyl-3-cyclohexene-1-carboxylic acid 
• 78-79-5 isoprene 
• 102096-63-9 (R)-2-<(S)-4-methyl-3-cyclohexene-1-carboxy>-3,3-dimethyl-γ-butyrolactone 

Downstream Products

• 1273492-72-0 5-(3,3-dimethyl-but-1-ynyl)-3-[(4-methyl-cyclohex-3-enecarbonyl)-(4-oxo-cyclohexyl)-amino]-thiophene-2-carboxylic acid methyl ester 
• 1417718-78-5 (S)-methyl 5-(3,3-dimethylbut-1-ynyl)-3-(N-isopropyl-4-methylcyclohex-3-enecarboxamido)thiophene-2-carboxylate 
• 1417718-65-0 (S)-5-(3,3-dimethylbut-1-ynyl)-3-(N-isopropyl-4-methylcyclohex-3-enecarboxamido)thiophene-2-carboxylic acid 
• 1273492-66-2 5-(3,3-dimethyl-but-1-ynyl)-3-[(1,4-dioxa-spiro[4.5]dec-8-yl)-(4-methyl-cyclohex-3-enecarbonyl)-amino]-thiophene-2-carboxylic acid methyl ester 
• 495-61-4 (S)-1-methyl-4-(6-methylhepta-1,5-dien-2-yl)cyclohex-1-ene 
• 170080-86-1 (S)-2-methyl-6-keto-(4-methyl-3-cyclohexen-1-yl)-2-hexene 

Relevant articles and documents

Discovery of GS-9669, a thumb site II non-nucleoside inhibitor of NS5B for the treatment of genotype 1 chronic hepatitis C infection

Investigation of thiophene-2-carboxylic acid HCV NS5B site II inhibitors, guided by measurement of cell culture medium binding, revealed the structure-activity relationships for intrinsic cellular potency. The pharmacokinetic profile was enhanced through incorporation of heterocyclic ethers on the N-alkyl substituent. Hydroxyl groups were incorporated to modulate protein binding. Intrinsic potency was further improved through enantiospecific introduction of an olefin in the N-acyl motif, resulting in the discovery of the phase 2 clinical candidate GS-9669. The unexpected activity of this compound against the clinically relevant NS5B M423T mutant, relative to the wild type, was shown to arise from both the N-alkyl substituent and the N-acyl group.

THIOPHEN-2-CARBOXYLIC ACID DERIVATIVES USEFUL AS INHIBITORS OF FLAVIVIRIDAE VIRUSES

Provided are compounds of Formula I: and pharmaceutically acceptable salts and esters thereof. The compounds, compositions, and methods provided are useful for the treatment of Flaviviridae virus infections (e.g. hepatitis C infections), particularly drug

INHIBITORS OF FLAVIVIRIDAE VIRUSES

Provided are compounds of Formula I: and pharmaceutically acceptable salts and esters thereof. The compounds, compositions, and methods provided are useful for the treatment of Flaviviridae virus infections, particularly hepatitis C infections.

INHIBITORS OF FLAVIVIRIDAE VIRUSES

Provided are compounds of Formula I: and pharmaceutically acceptable salts and esters thereof. The compounds, compositions, and methods provided are useful for the treatment of Flaviviridae virus infections, particularly hepatitis C infections.

Asymmetric synthesis of highly enantiomerically enriched (S)(-)-β-bisabolene

(S)-β-Bisabolene, (S)-1, was synthesized by a synthetic route in which (S)-4-methyl-3-cyclohexene carboxylic acid, (S)-10, which was the key intermediate, was prepared via a highly diastereoselective TiCl4-catalyzed Diels-Alder reaction between