Methyl 4-methoxycyclohexane-1-carboxylate

Base Information

• Chemical Name: Methyl 4-methoxycyclohexane-1-carboxylate
• CAS No.: 137058-17-4
• Molecular Formula: C9H16O3
• Molecular Weight: 172.224
• European Community (EC) Number: 874-887-5
• DSSTox Substance ID: DTXSID80707126,DTXSID801185134
• Nikkaji Number: J785.080H,J785.081F
• Mol file: 137058-17-4.mol

Synonyms:137058-17-4;Methyl 4-methoxycyclohexane-1-carboxylate;Methyl 4-methoxycyclohexanecarboxylate;SCHEMBL108442;SCHEMBL6827910;SCHEMBL13339539;SCHEMBL21369970;DTXSID80707126;GPABZOTWBDPXNZ-UHFFFAOYSA-N;DTXSID801185134;Methyl4-methoxycyclohexanecarboxylate;EN300-156703;4alpha-Methoxycyclohexane-1beta-carboxylic acid methyl ester;4alpha-Methoxycyclohexane-1alpha-carboxylic acid methyl ester;Cyclohexanecarboxylic acid, 4-methoxy-, methyl ester, trans-;73873-62-8

Chemical Property of Methyl 4-methoxycyclohexane-1-carboxylate

Chemical Property:

• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 172.109944368
• Heavy Atom Count: 12
• Complexity: 148

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1CCC(CC1)C(=O)OC

Technology Process of Methyl 4-methoxycyclohexane-1-carboxylate

There total 3 articles about Methyl 4-methoxycyclohexane-1-carboxylate 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: 93.0%

methanol (67-56-1) + 4-methoxycyclohexylcarboxylic acid (95233-12-8) → Methyl cis/trans-4-methoxycyclohexanecarboxylate (137058-17-4)

Guidance literature:

With sulfuric acid; at 70 ℃; for 14h;

DOI:10.1021/ml500210x

Reference yield: 47.2%

methyl 4-methoxybenzoate (121-98-2) → Methyl cis/trans-4-methoxycyclohexanecarboxylate (137058-17-4)

Guidance literature:

With hydrogen; Rh/Al₂O₃; In acetic acid; under 2585.7 Torr;

DOI:10.1021/jo01304a019

Reference yield: 40.0%

→ Methyl cis/trans-4-methoxycyclohexanecarboxylate (137058-17-4)

Guidance literature:

upstream raw materials:

methyl 4-methoxybenzoate

methanol

4-methoxycyclohexylcarboxylic acid

Downstream raw materials:

4-methoxycyclohexylcarboxylic acid

(4-methoxy-cyclohexyl)-methanol

cis-1-benzyloxymethyl-4-methoxycyclohexanecarboxylic acid

methyl 1-[hydroxy(mesitylacetyl)amino]-4-methoxycyclohexanecarboxylate