Cyclohexanecarbonyl chloride, 4-methoxy-, trans- (9CI)

Base Information

• Chemical Name: Cyclohexanecarbonyl chloride, 4-methoxy-, trans- (9CI)
• CAS No.: 123790-13-6
• Molecular Formula: C8H13 Cl O2
• Molecular Weight: 176.643
• Hs Code.: 2918999090
• Mol file: 123790-13-6.mol

Synonyms:trans-4-Methoxycyclohexanecarbonylchloride

Chemical Property of Cyclohexanecarbonyl chloride, 4-methoxy-, trans- (9CI)

Chemical Property:

• PSA: 26.30000
• LogP: 1.95700

Purity/Quality:

99% ^*data from raw suppliers

4-MethoxycyclohexanecarbonylChloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Cyclohexanecarbonyl chloride, 4-methoxy-, trans- (9CI)

There total 2 articles about Cyclohexanecarbonyl chloride, 4-methoxy-, trans- (9CI) which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 100.0%

4-methoxycyclohexylcarboxylic acid (95233-12-8) → 4-methoxycyclohexanecarbonyl chloride (123790-13-6)

Guidance literature:

With thionyl chloride; In N,N-dimethyl-formamide; at 80 ℃; for 1h; Inert atmosphere;

Reference yield:

4-methoxybenzoic acid (100-09-4) → 4-methoxycyclohexanecarbonyl chloride (123790-13-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 98.3 percent / H₂ / 5percent Rh/Al₂O₃ / tetrahydrofuran / 16 h / 50 °C / 2585.7 Torr

2: oxalyl chloride / toluene

With oxalyl dichloride; hydrogen; Rh/Al₂O₃; In tetrahydrofuran; toluene;

DOI:10.1021/jm00164a029

Reference yield: 89.8%

monosilyl acetamide + 4-methoxycyclohexanecarboxylic acid, oxalyl chloride + N-[(R)-1-{3-(1-tert-butoxycarbonyl-4-piperidyl)propionyl}-3-piperidylcarbonyl]-2(S)-amino-β-alanine + 4-methoxycyclohexanecarbonyl chloride (123790-13-6) → N-[3(R)-1-{3-(4-piperidyl)propionyl}-3-piperidylcarbonyl]-2(S)-(4-methoxycyclohexanecarbonyl)amino-β-alanine

Guidance literature:

With 4-methyl-morpholine; hydrogenchloride; In dichloromethane; water; ethyl acetate; N,N-dimethyl-formamide; acetonitrile;

upstream raw materials:

4-methoxycyclohexylcarboxylic acid

4-methoxybenzoic acid

Downstream raw materials:

4-Methoxy-cyclohexanecarboxylic acid ((6aR,9R,10aR)-4,7-dimethyl-4,6,6a,7,8,9,10,10a-octahydro-indolo[4,3-fg]quinolin-9-yl)-amide

4-Methoxy-cyclohexanecarboxylic acid ((6aR,9R,10aR)-4-ethyl-7-methyl-4,6,6a,7,8,9,10,10a-octahydro-indolo[4,3-fg]quinolin-9-yl)-amide

N-(3-phenyl-1,2,4-thiadiazol-5-yl)-trans-4-methoxycyclohexanamide

N-(3-phenyl-1,2,4-thiadiazol-5-yl)-cis-4-methoxycyclohexanamide

Refernces

• 1、 -. "NOVEL TRICYCLIC COMPOUNDS AS INHIBITORS OF MUTANT IDH ENZYMES". Page/Page column 142; 143. . Retrieved 2016/06/28.
• 2、 Misner,Garbrecht,Marzoni,Whitten,Cohen. "(8β)-6-Methylergoline amide derivatives as serotonin antagonists: N1-substituent effects on vascular 5HT2 receptor activity". . p. 652 - 656. Retrieved 2007/10/02.