3,4-Dimethyl-cyclohex-3-enecarboxylic acid

Base Information

• Chemical Name: 3,4-Dimethyl-cyclohex-3-enecarboxylic acid
• CAS No.: 23182-07-2
• Molecular Formula: C9H14O2
• Molecular Weight: 154.209
• Hs Code.: 2916209090
• DSSTox Substance ID: DTXSID90466439
• Nikkaji Number: J1.935.952B
• Mol file: 23182-07-2.mol

Synonyms:3,4-Dimethyl-cyclohex-3-enecarboxylic acid;23182-07-2;3,4-dimethylcyclohex-3-ene-1-carboxylic Acid;3-Cyclohexene-1-carboxylic acid, 3,4-dimethyl-;3,4-dimethyl-3-cyclohexene carboxylic acid;SCHEMBL3010444;DTXSID90466439;RKHBXKQTJHREJG-UHFFFAOYSA-N;MFCD01219076;AKOS000302552;AKOS022635223;3,4-dimethylcyclohex-3-enecarboxylic acid;3,4-dimethylcyclohex-3-ene-1-carboxylicAcid;CS-0243030;3,4-dimethylcyclohex-3-en-1-carboxylic acid;EN300-258177;Z1198156483

Chemical Property of 3,4-Dimethyl-cyclohex-3-enecarboxylic acid

Chemical Property:

• PSA: 37.30000
• LogP: 2.20750
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 154.099379685
• Heavy Atom Count: 11
• Complexity: 204

Purity/Quality:

97% ^*data from raw suppliers

3,4-Dimethyl-cyclohex-3-enecarboxylic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3,4-Dimethyl-cyclohex-3-enecarboxylic acid

There total 6 articles about 3,4-Dimethyl-cyclohex-3-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: 99.0%

2,3-dimethyl-buta-1,3-diene (513-81-5) + acrylic acid (79-10-7) → (+/-)-3,4-dimethylcyclohex-3-ene carboxylic acid (23182-07-2)

Guidance literature:

With tetraacetyl diborate; In neat (no solvent); at 20 ℃; Reagent/catalyst;

Reference yield:

2,3-dimethyl-buta-1,3-diene (513-81-5) + acryloyl chloride (814-68-6,25189-84-8) → (+/-)-3,4-dimethylcyclohex-3-ene carboxylic acid (23182-07-2)

Guidance literature:

acryloyl chloride; With 1-butyl-5-hydroxymethyl-3-methyl-3H-imidazol-1-ium NTf₂; triethylamine; 3-butyl-5-hydroxymethyl-1-methyl-3H-imidazol-1-ium triflimide; In dichloromethane; at -20 ℃; for 0.5h;

2,3-dimethyl-buta-1,3-diene; With hydroquinone; at 120 ℃; for 12h;

With lithium hydroxide; In methanol; water; for 12h;

DOI:10.1016/j.tetlet.2003.09.121

Reference yield:

→ (+/-)-3,4-dimethylcyclohex-3-ene carboxylic acid (23182-07-2)

Guidance literature:

at 205 ℃;

DOI:10.1021/jo01216a016

upstream raw materials:

2,3-dimethyl-buta-1,3-diene

acrylic acid

acryloyl chloride

(+/-)-4-(3-hydroxy-4,4-dimethyl-2-oxopyrrolidin-1-yl)benzoic acid

Downstream raw materials:

(3,4-Dimethyl-3-cyclohexen-1-yliden)acetaldehyd-dimethylhydrazon

6-(4-tolyl-aminocarbonyl)-3,4-dimethyl-3-cyclohexene carboxylic acid

chlorure de l'acide dimethyl-3,4 cyclohexene-3 carboxylique

3,4-dimethylbenzoic acid