4-Cyclohexylbenzoyl fluoride

Base Information

• Chemical Name: 4-Cyclohexylbenzoyl fluoride
• CAS No.: 127743-97-9
• Molecular Formula: C₁₃H₁₅FO
• Molecular Weight: 206.26
• DSSTox Substance ID: DTXSID20562837
• Wikidata: Q82447122
• Mol file: 127743-97-9.mol

Synonyms:4-Cyclohexylbenzoyl fluoride;127743-97-9;BENZOYL FLUORIDE, 4-CYCLOHEXYL- (9CI);DTXSID20562837

Chemical Property of 4-Cyclohexylbenzoyl fluoride

Chemical Property:

• PSA: 17.07000
• LogP: 3.84400
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 206.110693260
• Heavy Atom Count: 15
• Complexity: 213

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-Cyclohexylbenzoyl fluoride

There total 1 articles about 4-Cyclohexylbenzoyl fluoride 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: 56.0%

4-cyclohexylbenzoic acid (20029-52-1) → 4-cyclohexylbenzoyl fluoride (127743-97-9)

Guidance literature:

With trichloroisocyanuric acid; triphenylphosphine; cesium fluoride; In acetonitrile; at 20 ℃; for 24h; Reagent/catalyst; Inert atmosphere; Sealed tube;

DOI:10.1021/acs.orglett.0c04087

upstream raw materials:

4-cyclohexylbenzoic acid

Refernces