Methyl valerimidate hydrochloride

Base Information

• Chemical Name: Methyl valerimidate hydrochloride
• CAS No.: 39739-46-3
• Molecular Formula: C6H14ClNO
• Molecular Weight: 151.636
• European Community (EC) Number: 254-610-9
• DSSTox Substance ID: DTXSID40960336
• Mol file: 39739-46-3.mol

Synonyms:Methyl valerimidate hydrochloride;39739-46-3;methyl pentanimidate hydrochloride;Methyl Valerimidate, Hydrochloride;methyl pentanimidate;hydrochloride;Methyl valerimidate HCl;EINECS 254-610-9;Pentanimidic acid methyl ester hydrochloride;methylpentanimidatehydrochloride;SCHEMBL4529076;DTXSID40960336;methyl pentanimidoate hydrochloride;UAIVSGKSLHIONB-UHFFFAOYSA-N;AKOS006329408;Methyl pentanecarboximidate hydrochloride;CS-0297334;FT-0672367;EN300-216171;Methyl pentanimidate--hydrogen chloride (1/1)

Chemical Property of Methyl valerimidate hydrochloride

Chemical Property:

• Vapor Pressure: 23.7mmHg at 25°C
• Melting Point: 82-84?C
• Boiling Point: 114.4°Cat760mmHg
• Flash Point: 23°C
• PSA: 33.08000
• Density: g/cm³
• LogP: 2.70200
• Storage Temp.: Hygroscopic, -20°C Freezer, Under Inert Atmosphere
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 151.0763918
• Heavy Atom Count: 9
• Complexity: 70.9

Purity/Quality:

99% ^*data from raw suppliers

MethylValerimidateHydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCC(=N)OC.Cl
• Uses: Methyl Valerimidate Hydrochloride (cas# 39739-46-3) is a compound useful in organic synthesis.

Technology Process of Methyl valerimidate hydrochloride

There total 2 articles about Methyl valerimidate 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: 92.0%

methanol (67-56-1) + pentanonitrile (110-59-8) → methyl pentanimidate hydrochloride (39739-46-3)

Guidance literature:

With hydrogenchloride; at 5 ℃; for 24h;

DOI:10.1039/c3gc40774h

Reference yield:

pentanonitrile (110-59-8) → methyl pentanimidate hydrochloride (39739-46-3)

Guidance literature:

In hydrogenchloride; methanol; di-isopropyl ether;

Reference yield: 80.0%

methyl pentanimidate hydrochloride (39739-46-3) + 1-(2'-(1-trityl-1H-tetrazol-5-yl)biphenyl-4-yl)methanamine (134603-82-0) → C38H36N6 (905456-94-2)

Guidance literature:

With triethylamine; In ethanol; at 10 - 20 ℃; for 13h;

upstream raw materials:

methanol

pentanonitrile

Downstream raw materials:

trimethyl orthovalerate

2-butyl-5-hydroxymethyl-1H-imidazole

C₃₈H₃₆N₆

pentanamidine hydrochloride

Refernces

The Syntheses of Triazole, Sulfur-Containing Diazole and N-Phenylthiatriazole Biphenyltetrazoles as Potential Angiotensin II Receptor Antagonists

10.1002/jccs.199600014

The study focuses on the synthesis of novel triazole, sulfur-containing diazole, and N-phenylthiatriazole biphenyltetrazole derivatives as potential angiotensin II receptor antagonists. This research was inspired by the success of the angiotensin II receptor antagonist losartan (DuP 753) and aimed to explore alternative heterocycles that could maintain or enhance its efficacy. Chemicals such as methyl valerimidate hydrochloride, thionyl chloride, N-methylmorpholine, cesium carbonate, and Lawesson's reagent were used in the synthetic processes. Among the synthesized compounds, 5-butyl-3-[(2-trifluoromethyl)phenyl]-2,1,3,4-1H-thiatriazole-2-one biphenyltetrazole demonstrated promising in vitro activity, suggesting its potential for further pharmaceutical development?.

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