6-Methylcyclohex-1-enecarboxylic acid

Base Information

• Chemical Name: 6-Methylcyclohex-1-enecarboxylic acid
• CAS No.: 5726-56-7
• Molecular Formula: C8H12O2
• Molecular Weight: 140.182
• European Community (EC) Number: 886-227-3
• Nikkaji Number: J876.759I
• Mol file: 5726-56-7.mol

Synonyms:5726-56-7;6-methylcyclohex-1-enecarboxylic acid;6-methylcyclohexene-1-carboxylic Acid;6-METHYLCYCLOHEX-1-ENE-1-CARBOXYLIC ACID;6-Methyl-1-cyclohexenecarboxylic acid;1-Cyclohexene-1-carboxylic acid, 6-methyl-;SCHEMBL1827466;MFCD19228164;AKOS006376245;AT26703;MP-0032;CS-0260958;EN300-7640735

Chemical Property of 6-Methylcyclohex-1-enecarboxylic acid

Chemical Property:

• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 140.083729621
• Heavy Atom Count: 10
• Complexity: 170

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCCC=C1C(=O)O

Technology Process of 6-Methylcyclohex-1-enecarboxylic acid

There total 13 articles about 6-Methylcyclohex-1-enecarboxylic 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: 86.0%

carbon dioxide (124-38-9,18923-20-1) + 6-methyl-cyclohex-1-en-1-yl trifluoromethanesulfonate (76605-82-8) → 6-methylcyclohex-1-ene-1-carboxylic acid (5726-56-7)

Guidance literature:

With bis-triphenylphosphine-palladium(II) chloride; tetrabutylammonium tetrafluoroborate; In N,N-dimethyl-formamide; at 20 ℃; under 760 Torr; electrolyses, carbon cathode, Mg anode, E=-2.0 V;

DOI:10.1055/s-1997-3241

Reference yield:

6-methyl-cyclohex-1-enecarbonitrile (4883-66-3) → 6-methylcyclohex-1-ene-1-carboxylic acid (5726-56-7)

Guidance literature:

With phosphoric acid; In water;

DOI:10.1016/S0040-4039(97)00304-3

Reference yield:

2-Methylcyclohexanone (583-60-8) → 6-methylcyclohex-1-ene-1-carboxylic acid (5726-56-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.) H₂SO₄; 2.) POCl₃, pyridine

2: H₃PO₄ / H₂O

With pyridine; phosphoric acid; sulfuric acid; trichlorophosphate; In water;

DOI:10.1016/S0040-4039(97)00304-3

upstream raw materials:

(+/-)-1-bromo-2c-methyl-cyclohexane-r-carboxylic acid methyl ester

tert-butyl (RS)-6-methyl-cyclohex-1-ene-carboxylate

2-methylcyclohexane cyanohydrin

carbon dioxide

Downstream raw materials:

6-methyl-cyclohex-1-enecarbonyl chloride

6-Methyl-1-cyclohexencarbonsaeuremethylester

(1H-Indol-3-yl)-(6-methyl-cyclohex-1-enyl)-methanone

6-Methyl-3-oxo-cyclohex-1-enecarboxylic acid methyl ester