Methyl cis-3-hydroxymethylcyclopentane-1-carboxylate

Base Information

• Chemical Name: Methyl cis-3-hydroxymethylcyclopentane-1-carboxylate
• CAS No.: 58240-93-0
• Molecular Formula: C₈H₁₄O₃
• Molecular Weight: 158.197
• Hs Code.: 2918199090
• European Community (EC) Number: 865-891-8
• Mol file: 58240-93-0.mol

Synonyms:58240-93-0;METHYL CIS-3-HYDROXYMETHYLCYCLOPENTANE-1-CARBOXYLATE;rel-methyl (1R,3S)-3-(hydroxymethyl)cyclopentane-1-carboxylate;MFCD06799098;METHYL (1R,3S)-3-(HYDROXYMETHYL)CYCLOPENTANE-1-CARBOXYLATE;96443-44-6;SCHEMBL1660231;METHYLCIS-3-HYDROXYMETHYLCYCLOPENTANE-1-CARBOXYLATE;QFZTZFHLMOJRBN-NKWVEPMBSA-N;AKOS006284049;AT36722;AS-53294;CS-0048714;P16294;EN300-6745490;(1R,3S)-methyl 3-(hydroxymethyl)cyclopentanecarboxylate;Methyl (1R,3S)-3-(Hydroxymethyl)Cyclopentanecarboxylate;rac-methyl (1R,3S)-3-(hydroxymethyl)cyclopentane-1-carboxylate

Chemical Property of Methyl cis-3-hydroxymethylcyclopentane-1-carboxylate

Chemical Property:

• Vapor Pressure: 0.0129mmHg at 25°C
• Boiling Point: 230°C at 760 mmHg
• Flash Point: 91.5°C
• PSA: 46.53000
• Density: 1.091g/cm³
• LogP: 0.56800
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 158.094294304
• Heavy Atom Count: 11
• Complexity: 144

Purity/Quality:

98%Min ^*data from raw suppliers

rel-methyl(1R,3S)-3-(hydroxymethyl)cyclopentane-1-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC(=O)C1CCC(C1)CO
• Isomeric SMILES: COC(=O)[C@@H]1CC[C@@H](C1)CO

Technology Process of Methyl cis-3-hydroxymethylcyclopentane-1-carboxylate

There total 3 articles about Methyl cis-3-hydroxymethylcyclopentane-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: 95.0%

3-(methoxycarbonyl)-cyclopentane-1-carboxylic acid (84545-00-6) → (+)-cis-(1R,3S)-3-hydroxymethyl-1-carbomethoxycyclopentane (58240-93-0,96443-44-6)

Guidance literature:

With dimethylsulfide borane complex; In tetrahydrofuran; -78 to 20 deg C, 30 min; 20deg C, 3 h;

Reference yield:

chloroformic acid ethyl ester (541-41-3) + (+)-cis-(1S,3R)-3-carbomethoxycyclopentane carboxylic acid (96443-42-4) → methyl cis-3-hydroxymethylcyclopentancarboxylate (58240-93-0,96443-44-6)

Guidance literature:

With hydrogenchloride; sodium borohydrid; triethylamine; In tetrahydrofuran; methanol; chloroform;

Reference yield:

cyclopentane?1,3?dimethyl formate (2435-36-1) → (+)-cis-(1R,3S)-3-hydroxymethyl-1-carbomethoxycyclopentane (58240-93-0,96443-44-6)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium hydroxide / methanol / 12 h / 25 °C

2: dimethylsulfide borane complex / tetrahydrofuran / 12.5 h / -78 - 25 °C

With dimethylsulfide borane complex; sodium hydroxide; In tetrahydrofuran; methanol;

DOI:10.1021/acs.jmedchem.1c00163

upstream raw materials:

chloroformic acid ethyl ester

(+)-cis-(1S,3R)-3-carbomethoxycyclopentane carboxylic acid

3-(methoxycarbonyl)-cyclopentane-1-carboxylic acid

cyclopentane?1,3?dimethyl formate

Downstream raw materials:

methyl 3-formylcyclopentane-1-carboxylate

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