(4-Tert-butylcyclohexyl)-phenylmethanone

Base Information

• Chemical Name: (4-Tert-butylcyclohexyl)-phenylmethanone
• CAS No.: 18525-42-3
• Molecular Formula: C17H24O
• Molecular Weight: 244.3719
• NSC Number: 167275
• DSSTox Substance ID: DTXSID20304779
• Nikkaji Number: J1.074.733C
• Mol file: 18525-42-3.mol

Synonyms:18525-42-3;(4-tert-butylcyclohexyl)-phenylmethanone;NSC167275;SCHEMBL23296578;SCHEMBL23296579;DTXSID20304779;AKOS006210053;NSC-167275;(4-tert-butylcyclohexyl)(phenyl)methanone

Chemical Property of (4-Tert-butylcyclohexyl)-phenylmethanone

Chemical Property:

• Vapor Pressure: 0.000101mmHg at 25°C
• Boiling Point: 338°Cat760mmHg
• Flash Point: 141.2°C
• Density: 0.978g/cm³
• XLogP3: 5.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 244.182715385
• Heavy Atom Count: 18
• Complexity: 273

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C1CCC(CC1)C(=O)C2=CC=CC=C2

Technology Process of (4-Tert-butylcyclohexyl)-phenylmethanone

There total 3 articles about (4-Tert-butylcyclohexyl)-phenylmethanone 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:

cis-4-tert-butylcyclohexanecarboxylic acid chloride (28467-41-6) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → cis-(4-tert-Butylcyclohexyl)phenylketon (18525-42-3)

Guidance literature:

With aluminium trichloride;

DOI:10.1139/v67-368

Reference yield:

4-tert-butylcyclohexanecarboxylic acid (5451-55-8) + phenyllithium (591-51-5) → trans-(4-tert-Butylcyclohexyl)phenylketon (28112-56-3) + cis-(4-tert-Butylcyclohexyl)phenylketon (18525-42-3)

Guidance literature:

In tetrahydrofuran; Yield given. Yields of byproduct given;

Reference yield:

→ cis-(4-tert-Butylcyclohexyl)phenylketon (18525-42-3)

Guidance literature:

entspr. Verb. 4a, Raney-Ni (Gemisch mit 2a);

upstream raw materials:

4-tert-butylcyclohexanecarboxylic acid

phenyllithium

cis-4-tert-butylcyclohexanecarboxylic acid chloride

benzene