Dimethyl cyclohexane-1,2-dicarboxylate

Base Information

• Chemical Name: Dimethyl cyclohexane-1,2-dicarboxylate
• CAS No.: 4336-20-3
• Molecular Formula: C10H16O4
• Molecular Weight: 200.235
• European Community (EC) Number: 608-697-9
• NSC Number: 408338,401685,144650,250349
• DSSTox Substance ID: DTXSID60937520
• Nikkaji Number: J160.531C
• Mol file: 4336-20-3.mol

Synonyms:dimethyl cyclohexane-1,2-dicarboxylate;3205-35-4;dimethyl 1,2-cyclohexanedicarboxylate;Dimethyl trans-1,2-Cyclohexanedicarboxylate;Dimethyl cis-hexahydrophthalate;NSC401685;cis-1,2-Cyclohexanedicarboxylic Acid Dimethyl Ester;trans-1,2-Cyclohexanedicarboxylic Acid Dimethyl Ester;SCHEMBL272354;TRANS-1, DIMETHYL ESTER;DTXSID60937520;AMY31458;hexahydrophthalic acid-di-methylester;MFCD21602391;NSC144650;NSC250349;NSC408338;NSC-144650;NSC-250349;NSC-401685;NSC-408338;SY057499;A1696;D3691;D3702;FT-0625074;1,2-Cyclohexanedicarboxylic acid, dimethyl ester;A811005

Chemical Property of Dimethyl cyclohexane-1,2-dicarboxylate

Chemical Property:

• Boiling Point: 259°Cat760mmHg
• Flash Point: 121.3°C
• PSA: 52.60000
• Density: 1.102g/cm³
• LogP: 1.13880
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 200.10485899
• Heavy Atom Count: 14
• Complexity: 200

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1CCCCC1C(=O)OC

Technology Process of Dimethyl cyclohexane-1,2-dicarboxylate

There total 13 articles about Dimethyl cyclohexane-1,2-dicarboxylate 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: 100.0%

→ dimethyl 1,2-cyclohexanedicarboxylate (4336-20-3)

Guidance literature:

With 5%-palladium/activated carbon; hydrogen; In methanol; under 760.051 Torr;

Reference yield: 90.0%

dimethyl subarate (1732-09-8) → dimethyl 1,2-cyclohexanedicarboxylate (4336-20-3)

Guidance literature:

With hydrogenchloride; copper(ll) bromide; lithium diisopropyl amide; In tetrahydrofuran; hexane; at -78 ℃; Product distribution; var. metal salt;

DOI:10.1021/jo00155a047

Reference yield:

Z-2-carbo-tert-perbutoxy cyclohexanecarboxylic acid (29516-56-1,82435-77-6,82435-78-7) → methyl cyclohexylcarboxylate (4630-82-4) + dimethyl 1,2-cyclohexanedicarboxylate (4336-20-3)

Guidance literature:

at 100 ℃; for 24h;

DOI:10.1139/v82-163

upstream raw materials:

2-Carboethoxy-7-chlorocycloheptanon

diazomethane

benzylacrylate

methyl (2E)-penta-2,4-dienoate

Downstream raw materials:

cyclohexane-1,2-dicarboxylic acid dihydrazide

1,2-dimethyl cyclohex-2-ene-1,2-dicarboxylate

1,2-dimethyl cyclohex-1-ene-1,2-dicarboxylate

(1S,2R)-2-(methoxycarbonyl)cyclohexanecarboxylic acid