Cyclopentanecarboximidic acid, methyl ester, hydrochloride

Base Information

• Chemical Name: Cyclopentanecarboximidic acid, methyl ester, hydrochloride
• CAS No.: 109152-86-5
• Molecular Formula: C7H13NO.ClH
• Molecular Weight: 163.64500
• European Community (EC) Number: 856-984-4
• DSSTox Substance ID: DTXSID20552692
• Mol file: 109152-86-5.mol

Synonyms:109152-86-5;Cyclopentanecarboximidic acid, methyl ester, hydrochloride;methyl cyclopentanecarboximidate;hydrochloride;Methyl cyclopentanecarbimidate hydrochloride;SCHEMBL20819822;DTXSID20552692;Methylcyclopentanecarbimidatehydrochloride;EN300-141293;METHYL CYCLOPENTANECARBOXIMIDATE HYDROCHLORIDE;Methyl cyclopentanecarboximidate--hydrogen chloride (1/1)

Chemical Property of Cyclopentanecarboximidic acid, methyl ester, hydrochloride

Chemical Property:

• PSA: 33.08000
• LogP: 2.70200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 163.0763918
• Heavy Atom Count: 10
• Complexity: 106

Purity/Quality:

99% ^*data from raw suppliers

MethylCyclopentanecarboximidateHydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=N)C1CCCC1.Cl

Technology Process of Cyclopentanecarboximidic acid, methyl ester, hydrochloride

There total 6 articles about Cyclopentanecarboximidic acid, methyl ester, hydrochloride 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%

methanol (67-56-1) + cyclopentanecarbonitrile (4254-02-8) → cyclopentanecarboximidic acid methyl ester hydrochloride (109152-86-5)

Guidance literature:

With hydrogenchloride; In hexane; Cooling with ice;

Reference yield:

1-hydroxycyclopentanecarbonitrile (5117-85-1) → cyclopentanecarboximidic acid methyl ester hydrochloride (109152-86-5)

Guidance literature:

Multi-step reaction with 4 steps

1: acetyl chloride

2: pyrex-glass / 470 - 500 °C

3: palladium/SrCO₃; diethyl ether; acetic acid anhydride / Hydrogenation

4: HCl; diethyl ether

With hydrogenchloride; Pd/SrCO₃; diethyl ether; acetic anhydride; acetyl chloride;

DOI:10.1021/ja01622a040

Reference yield:

cyclopent-1-enecarbonitrile (3047-38-9) → cyclopentanecarboximidic acid methyl ester hydrochloride (109152-86-5)

Guidance literature:

Multi-step reaction with 2 steps

1: palladium/SrCO₃; diethyl ether; acetic acid anhydride / Hydrogenation

2: HCl; diethyl ether

With hydrogenchloride; Pd/SrCO₃; diethyl ether; acetic anhydride;

DOI:10.1021/ja01622a040

upstream raw materials:

methanol

cyclopentanecarbonitrile

cyclopent-1-enecarbonitrile

1-hydroxycyclopentanecarbonitrile

Downstream raw materials:

cyclopentylamide

2-cyclopentyl-2-methoxy-[1,3]dioxolane