3-Methoxycyclohexanecarboxylic acid

Base Information

• Chemical Name: 3-Methoxycyclohexanecarboxylic acid
• CAS No.: 99799-10-7
• Molecular Formula: C8H14O3
• Molecular Weight: 158.197
• Hs Code.: 2918990090
• European Community (EC) Number: 625-913-7
• DSSTox Substance ID: DTXSID10395252
• Mol file: 99799-10-7.mol

Synonyms:3-methoxycyclohexanecarboxylic acid;99799-10-7;3-methoxycyclohexane-1-carboxylic Acid;Cyclohexanecarboxylic acid, 3-methoxy-;cis-3-Methoxycyclohexanecarboxylic acid;3-METHOXYCYCLOHEXANECARBOXYLICACID;SCHEMBL504043;3-methoxycyclohexylcarboxylic acid;DTXSID10395252;KAWNRNMMEKTYGM-UHFFFAOYSA-N;STR05443;ZDA79910;3-Methoxy-cyclohexanecarboxylic acid;MFCD00074991;AKOS009157097;AB86141;FT-0733434;EN300-139561;Z1192182025

Chemical Property of 3-Methoxycyclohexanecarboxylic acid

Chemical Property:

• Vapor Pressure: 0.001mmHg at 25°C
• Refractive Index: n20/D 1.4683(lit.)
• Boiling Point: 140-142oC5 mm Hg(lit.)
• Flash Point: >230 °F
• PSA: 46.53000
• Density: 1.087 g/mL at 25oC(lit.)
• LogP: 1.27620
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 158.094294304
• Heavy Atom Count: 11
• Complexity: 144

Purity/Quality:

98%,99%, ^*data from raw suppliers

3-MethoxycyclohexanecarboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1CCCC(C1)C(=O)O

Technology Process of 3-Methoxycyclohexanecarboxylic acid

There total 1 articles about 3-Methoxycyclohexanecarboxylic 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: 100.0%

3-Methoxy-cyclohexanecarboxylic acid 2-oxo-2-phenyl-ethyl ester → 3-methoxy-1-cyclohexanecarboxylic acid (99799-10-7) + acetophenone (98-86-2)

Guidance literature:

With N,N,N',N'-tetramethyl-o-phenylenediamine; In acetonitrile; for 2h; Irradiation;

DOI:10.1021/jo970495j

Reference yield: 91.0%

3-methoxy-1-cyclohexanecarboxylic acid (99799-10-7) + α-bromoacetophenone (70-11-1) → 3-Methoxy-cyclohexanecarboxylic acid 2-oxo-2-phenyl-ethyl ester

Guidance literature:

With 1,8-diazabicyclo[5.4.0]undec-7-ene; In benzene; for 2h; Ambient temperature;

DOI:10.1021/jo970495j

Reference yield: 33.0%

quinoline-2-carboxylic acid methyl ester (19575-07-6) + 3-methoxy-1-cyclohexanecarboxylic acid (99799-10-7) → methyl 4-(3-methoxycyclohexyl)quinoline-2-carboxylate

Guidance literature:

With ammonium peroxodisulfate; sulfuric acid; silver nitrate; In water; acetonitrile; at 70 - 80 ℃; for 0.5h;

DOI:10.1016/j.ejmech.2015.02.034

Downstream raw materials:

1-Hydroxymethyl-3-methoxy-cyclohexanecarboxylic acid ((S)-1-methylcarbamoyl-2-phenyl-ethyl)-amide

(3-methoxycyclohexyl)methanol

6-oxabicyclo[3.2.1]octan-7-one

trans-3-Methoxycyclohexanecarboxylic acid

Refernces