1-Bromocyclohexanecarboxylic acid

Base Information

• Chemical Name: 1-Bromocyclohexanecarboxylic acid
• CAS No.: 55106-53-1
• Molecular Formula: C₇H₁₁BrO₂
• Molecular Weight: 207.067
• European Community (EC) Number: 834-984-5
• Mol file: 55106-53-1.mol

Synonyms:1-bromocyclohexanecarboxylic acid;1-bromocyclohexane-1-carboxylic acid;55106-53-1;Cyclohexanecarboxylic acid, 1-bromo-;bromocyclohexane carboxylic;SCHEMBL7828756;KHFXNUAYBKPUKC-UHFFFAOYSA-N;1-Bromo-1-cyclohexanecarboxylic acid;1-bromo-cyclohexane-1-carboxylic acid;AKOS015907375;CS-0230038;EN300-102036

Chemical Property of 1-Bromocyclohexanecarboxylic acid

Chemical Property:

• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 205.99424
• Heavy Atom Count: 10
• Complexity: 139

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CCC(CC1)(C(=O)O)Br

Technology Process of 1-Bromocyclohexanecarboxylic acid

There total 9 articles about 1-Bromocyclohexanecarboxylic 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: 75.0%

Cyclohexanecarboxylic acid (98-89-5) → 1-bromocyclohexanecarboxylic acid (55106-53-1)

Guidance literature:

With bromine; phosphorus tribromide; at 70 ℃; for 17h;

DOI:10.1080/00397910701215957

Reference yield: 52.0%

dibromoacetonitrile (3252-43-5) + cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) → 1-bromocyclohexanecarboxylic acid (55106-53-1)

Guidance literature:

dibromoacetonitrile; cyclohexanone; With sodium hydride; In tetrahydrofuran; mineral oil; at -78 - 0 ℃; for 4h;

With pyridine; In tetrahydrofuran; mineral oil; at 20 ℃; for 0.583333h; Reflux;

DOI:10.1002/chem.202005129

Reference yield: 40.0%

Bromoform (75-25-2) + cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) → 1-bromocyclohexanecarboxylic acid (55106-53-1)

Guidance literature:

With water; 1,8-diazabicyclo[5.4.0]undec-7-ene; In dichloromethane; at 20 ℃; for 24h;

DOI:10.1080/00397910802531955

upstream raw materials:

cyclohexanylcarbonyl chloride

Cyclohexanecarboxylic acid

(1-Bromo-cyclohexyl)-oxo-acetonitrile

cyclohexanone

Downstream raw materials:

1-bromocyclohexanecarboxylic acid chloride

1-(trifluoromethyl)-1-cyclohexene

Refernces

• 1、 Fisher, David J.,Burnett, G. Leslie,Velasco, Rocío,Read De Alaniz, Javier. "Synthesis of Hindered α-Amino Carbonyls: Copper-Catalyzed Radical Addition with Nitroso Compounds". supporting information. p. 11614 - 11617. Retrieved 2015/09/28.
• 2、 Jiang, Weiqin,Fiordeliso, James J.,Sui, Zhihua. "Facile synthesis of 3,3-dialkyl-6-phenyl-imidazopyridinones". . p. 1237 - 1249. Retrieved 2008/02/01.