trans-2-Phenylcyclohexanecarboxylic acid

Base Information

• Chemical Name: trans-2-Phenylcyclohexanecarboxylic acid
• CAS No.: 24905-75-7
• Molecular Formula: C₁₃H₁₆O₂
• Molecular Weight: 204.269
• European Community (EC) Number: 838-077-5
• Nikkaji Number: J1.948.216B
• Mol file: 24905-75-7.mol

Synonyms:trans-2-phenylcyclohexanecarboxylic acid;24905-75-7;(1R,2R)-2-phenylcyclohexane-1-carboxylic acid;SCHEMBL22492062;EN300-5309367;rac-(1R,2R)-2-phenylcyclohexane-1-carboxylic acid;Rel-(1R,2R)-2-phenylcyclohexane-1-carboxylic acid;Z2740090744

Chemical Property of trans-2-Phenylcyclohexanecarboxylic acid

Chemical Property:

• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 204.115029749
• Heavy Atom Count: 15
• Complexity: 219

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CCC(C(C1)C2=CC=CC=C2)C(=O)O
• Isomeric SMILES: C1CC[C@H]([C@@H](C1)C2=CC=CC=C2)C(=O)O

Technology Process of trans-2-Phenylcyclohexanecarboxylic acid

There total 42 articles about trans-2-Phenylcyclohexanecarboxylic 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: 98.0%

2-phenyl-cyclohexane-1,1-dicarboxylic acid (107620-77-9) → cis-2-Phenylcyclohexanecarboxylic acid (24905-74-6,24905-75-7,37982-24-4,64396-70-9,64396-71-0,97906-58-6,113215-84-2,113215-85-3)

Guidance literature:

copper(I) oxide; In acetonitrile; for 24h; Heating;

DOI:10.1055/s-1986-31861

Reference yield: 87.0%

methyl trans-2-phenylcyclohexane-1-carboxylate (30557-82-5,64396-68-5,70144-87-5) → trans-2-phenylcyclohexane carboxylic acid (24905-74-6,24905-75-7,37982-24-4,64396-70-9,64396-71-0,97906-58-6,113215-84-2,113215-85-3)

Guidance literature:

With hydrogenchloride; In 1,4-dioxane; water; for 20h; Heating;

DOI:10.1021/jo00195a021

Reference yield: 79.0%

3,4,5,6-tetrahydro-[1,1'-biphenyl]-2-carboxylic acid (108299-04-3) → cis-2-Phenylcyclohexanecarboxylic acid (24905-74-6,24905-75-7,37982-24-4,64396-70-9,64396-71-0,97906-58-6,113215-84-2,113215-85-3)

Guidance literature:

3,4,5,6-tetrahydro-[1,1'-biphenyl]-2-carboxylic acid; With hydrogen; triethylamine; [(R)-2,2'-bis(diphenylphosphino)-6,6'-dimethylbiphenyl]ruthenium-diacetate; In methanol; at 80 ℃; for 42h; under 30003 Torr;

With sodium hydroxide; In methanol; tert-butyl methyl ether; water;

With hydrogenchloride; In water; at 0 ℃; pH=1; Product distribution / selectivity;

upstream raw materials:

(+/-)-trans-2-phenyl-cyclohex-3-enecarboxylic acid

trans-6-phenyl-3-cyclohexene-1-carboxylic acid

cis-2-Phenylcyclohexanecarboxylic acid

methyl trans-2-phenylcyclohexane-1-carboxylate

Downstream raw materials:

(+/-)-trans-2-phenyl-cyclohexanecarboxylic acid amide

(+/-)-trans-2-phenyl-cyclohexanecarbonyl chloride

methyl trans-2-phenylcyclohexane-1-carboxylate

(+/-)-cis-2-phenyl-cyclohexane-carboxylic acid-⁽¹⁾-amide