CIS-2-BENZOYL-1-CYCLOHEXANECARBOXYLIC ACID, 98

Base Information

• Chemical Name: CIS-2-BENZOYL-1-CYCLOHEXANECARBOXYLIC ACID, 98
• CAS No.: 6939-99-7
• Molecular Formula: C₁₄H₁₆O₃
• Molecular Weight: 232.279
• Hs Code.: 2918300090
• Mol file: 6939-99-7.mol

Synonyms:2-benzoylcyclohexanecarboxylic acid;(1R*,2S*)-2-benzoylcyclohexanecarboxylic acid;CIS-2-BENZOYL-1-CYCLOHEXANECARBOXYLIC ACID,98;cyclohexanecarboxylic acid,2-benzoyl;trans-2-benzoyl-1-cyclohexanecarboxylic acid;

Chemical Property of CIS-2-BENZOYL-1-CYCLOHEXANECARBOXYLIC ACID, 98

Chemical Property:

• Vapor Pressure: 2.46E-07mmHg at 25°C
• Melting Point: 138-142oC
• Refractive Index: 1.5800 (estimate)
• Boiling Point: 406.4°C at 760 mmHg
• Flash Point: 213.8°C
• PSA: 54.37000
• Density: 1.186g/cm³
• LogP: 2.76030

Purity/Quality:

99% ^*data from raw suppliers

Cis-2-Benzoylcyclohexane-1-carboxylicacid 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of CIS-2-BENZOYL-1-CYCLOHEXANECARBOXYLIC ACID, 98

There total 2 articles about CIS-2-BENZOYL-1-CYCLOHEXANECARBOXYLIC ACID, 98 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: 83.0%

1,2-Cyclohexanedicarboxylic acid-anhydride (85-42-7) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → (1R*,2S*)-2-benzoylcyclohexanecarboxylic acid (3586-84-3,6939-99-7,86528-42-9,86528-43-0,61959-30-6)

Guidance literature:

With aluminum (III) chloride; at 0 - 20 ℃; for 12h; Inert atmosphere; Schlenk technique;

DOI:10.1002/cctc.201700695

Reference yield:

cis-cyclohexanedicarboxylic anhydride + phenylmagnesium bromide (100-58-3) → (1R*,2S*)-2-benzoylcyclohexanecarboxylic acid (3586-84-3,6939-99-7,86528-42-9,86528-43-0,61959-30-6)

Guidance literature:

With hydrogenchloride; In tetrahydrofuran; diethyl ether; water;

Reference yield: 91.0%

(1R*,2S*)-2-benzoylcyclohexanecarboxylic acid (3586-84-3,6939-99-7,86528-42-9,86528-43-0,61959-30-6) → 3-phenyl-hexahydro-isobenzofuran-1-one (854447-48-6)

Guidance literature:

With Dimethylphenylsilane; trifluoroacetic acid; In dichloromethane; at 0 - 20 ℃; for 14h;

DOI:10.1021/ol047821j

upstream raw materials:

phenylmagnesium bromide

1,2-Cyclohexanedicarboxylic acid-anhydride

benzene

Downstream raw materials:

C₂₇H₂₅NO₃

3-phenyl-hexahydro-isobenzofuran-1-one

Refernces

• 1、 -. "THERAPEUTIC AGENT FOR DIABETES". . . Retrieved 2008/06/13.