cis-4-Benzoylcyclohexane-1-carboxylic acid

Base Information

• Chemical Name: cis-4-Benzoylcyclohexane-1-carboxylic acid
• CAS No.: 945362-35-6
• Molecular Formula: C₁₄H₁₆O₃
• Molecular Weight: 232.279
• Hs Code.: 2918300090
• DSSTox Substance ID: DTXSID30589393,DTXSID101270455,DTXSID101277849
• Mol file: 945362-35-6.mol

Synonyms:cis-4-Benzoylcyclohexane-1-carboxylic acid;945362-35-6;TRANS-4-BENZOYLCYCLOHEXANE-1-CARBOXYLIC ACID;4-benzoylcyclohexane-1-carboxylic acid;MFCD01311329;MFCD01319766;trans-4-benzoylcyclohexanecarboxylic acid;735269-88-2;735270-27-6;4-(phenylcarbonyl)cyclohexanecarboxylic acid;SCHEMBL407216;SCHEMBL439217;SCHEMBL3515355;DTXSID30589393;IQSXTPDJHKVQAF-HAQNSBGRSA-N;4-benzoylcyclohexanecarboxylic acid;DTXSID101270455;DTXSID101277849;STL261675;AKOS003394230;AKOS016017348;AKOS016017429;cis-4-Benzoylcyclohexanecarboxylic acid;TRANS-4-BENZOYLCYCLOHEXANE-1-CARBOXYLICACID

Chemical Property of cis-4-Benzoylcyclohexane-1-carboxylic acid

Chemical Property:

• Vapor Pressure: 2.46E-07mmHg at 25°C
• Boiling Point: 406.4°C at 760 mmHg
• Flash Point: 213.8°C
• PSA: 54.37000
• Density: 1.186g/cm³
• LogP: 2.76030
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 232.109944368
• Heavy Atom Count: 17
• Complexity: 284

Purity/Quality:

97% ^*data from raw suppliers

Trans-4-Benzoylcyclohexane-1-carboxylicacid 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(CCC1C(=O)C2=CC=CC=C2)C(=O)O

Technology Process of cis-4-Benzoylcyclohexane-1-carboxylic acid

There total 1 articles about cis-4-Benzoylcyclohexane-1-carboxylic acid 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:

trans-1,4-cyclohexanedicarboxylic acid chloride (13170-66-6,14571-47-2,19988-54-6) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → trans-4-benzoylcyclohexane-carboxylic acid (945362-35-6)

Guidance literature:

With water;

DOI:10.1080/00268948208072592

Reference yield:

trans-4-benzoylcyclohexane-carboxylic acid (945362-35-6) → 4-Benzoyl-cyclohexanecarboxylic acid (3S,8S,9S,10R,13R,14S,17R)-17-((R)-1,5-dimethyl-hexyl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl ester

Guidance literature:

Multi-step reaction with 2 steps

1: phosphorous pentachloride

2: pyridine / benzene / 10 h / Ambient temperature

With pyridine; phosphorus pentachloride; In benzene;

DOI:10.1080/00268948208072592

Reference yield:

trans-4-benzoylcyclohexane-carboxylic acid (945362-35-6) → 4-Benzoyl-cyclohexanecarbonyl chloride

Guidance literature:

With phosphorus pentachloride;

DOI:10.1080/00268948208072592

upstream raw materials:

trans-1,4-cyclohexanedicarboxylic acid chloride

benzene

Refernces