Methyl 1-phenylcyclohexane-1-carboxylate

Base Information

• Chemical Name: Methyl 1-phenylcyclohexane-1-carboxylate
• CAS No.: 17380-78-8
• Molecular Formula: C14H18O2
• Molecular Weight: 218.296
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID70568268
• Nikkaji Number: J124.751D
• Wikidata: Q82454466
• Mol file: 17380-78-8.mol

Synonyms:17380-78-8;Methyl 1-phenylcyclohexane-1-carboxylate;1-Phenylcyclohexane-1-carboxylic acid methyl ester;SCHEMBL1042494;DTXSID70568268;SGCPKFJYODXFOZ-UHFFFAOYSA-N;AKOS000348786;Methyl-1-phenyl-1-cyclohexanecarboxylate

Chemical Property of Methyl 1-phenylcyclohexane-1-carboxylate

Chemical Property:

• PSA: 26.30000
• LogP: 3.06150
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 218.130679813
• Heavy Atom Count: 16
• Complexity: 235

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1(CCCCC1)C2=CC=CC=C2

Technology Process of Methyl 1-phenylcyclohexane-1-carboxylate

There total 10 articles about Methyl 1-phenylcyclohexane-1-carboxylate 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: 97.0%

diazomethane (186581-53-3,908094-01-9,334-88-3) + 1-phenyl-cyclohexanecarboxylic acid (1135-67-7) → methyl 1-phenyl-1-cyclohexanecarboxylate (17380-78-8)

Guidance literature:

In diethyl ether;

DOI:10.1039/b822944a

Reference yield: 93.0%

methanol (67-56-1) + 1-phenyl-cyclohexanecarboxylic acid (1135-67-7) → methyl 1-phenyl-1-cyclohexanecarboxylate (17380-78-8)

Guidance literature:

With hydrogenchloride; In water; Reflux;

DOI:10.1039/d0cc00641f

Reference yield: 84.0%

diazomethane (186581-53-3,908094-01-9,334-88-3) + (1-phenylcyclohexyl)methanol (68692-77-3) → methyl 1-phenyl-1-cyclohexanecarboxylate (17380-78-8)

Guidance literature:

(1-phenylcyclohexyl)methanol; With sodium chlorite; sodium dihydrogenphosphate; Me-AZADO+Cl-; In dichloromethane; water; at 25 ℃; for 10h;

With 2-methyl-but-2-ene; In dichloromethane; water;

diazomethane; With hydrogenchloride; sodium hydroxide; more than 3 stages; Product distribution / selectivity;

upstream raw materials:

methanol

1-phenyl-cyclohexanecarboxylic acid

1-phenyl-1-cyclohexanecarbonitrile

diazomethane

Downstream raw materials:

O-<2-<2-(diethylamino)ethoxy>ethyl>-1-phenyl-1-cyclohexanemethanol

1-phenyl-cyclohexanecarboxylic acid

(1-phenylcyclohexyl)methanol