Methyl 4-chlorobutanimidate hydrochloride

Base Information

• Chemical Name: Methyl 4-chlorobutanimidate hydrochloride
• CAS No.: 77570-15-1
• Molecular Formula: C5H10ClNO.ClH
• Molecular Weight: 172.05300
• Hs Code.: 2925290090
• DSSTox Substance ID: DTXSID70505916
• Mol file: 77570-15-1.mol

Synonyms:Methyl 4-chlorobutanimidate hydrochloride;77570-15-1;Methyl 4-Chlorobutanimidoate hydrochloride;methyl 4-chlorobutanimidate;hydrochloride;SCHEMBL18007667;DTXSID70505916;CDA57015;MFCD12404920;AKOS016006462;Methyl4-chlorobutanimidatehydrochloride;METHYL 4-CHLOROBUTANIMIDATE HCL;DS-16497;CS-0309147;Methyl 3 - chloropropaniMidate hydrochloride;C76486;EN300-1608576;METHYL 4-CHLOROBUTANECARBOXIMIDATE HYDROCHLORIDE;Methyl 4-chlorobutanimidate--hydrogen chloride (1/1)

Chemical Property of Methyl 4-chlorobutanimidate hydrochloride

Chemical Property:

• PSA: 33.08000
• LogP: 2.53080
• Storage Temp.: Inert atmosphere,Store in freezer, under -20°C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 171.0217694
• Heavy Atom Count: 9
• Complexity: 74.8

Purity/Quality:

99%min. ^*data from raw suppliers

Methyl 4-chlorobutanimidoate hydrochloride 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=N)CCCCl.Cl

Technology Process of Methyl 4-chlorobutanimidate hydrochloride

There total 1 articles about Methyl 4-chlorobutanimidate 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: 94.0%

methanol (67-56-1) + 4-Chlorobutyronitrile (628-20-6) → methyl 3-chloropropanimidate hydrochloride (77570-15-1)

Guidance literature:

With hydrogenchloride; In diethyl ether; at 20 ℃; for 4h;

DOI:10.1016/j.tet.2006.12.003

Reference yield:

methyl 3-chloropropanimidate hydrochloride (77570-15-1) → methyl (1S,2S,3S,Z)-3-benzoyl-N-((S)-tert-butylsulfinyl)-2-(4-nitrophenyl)cyclopentane-1-carbimidate

Guidance literature:

Multi-step reaction with 3 steps

1: 20 °C / Inert atmosphere

2: toluene-4-sulfonic acid / 85 °C / Inert atmosphere

3: lithium hexamethyldisilazane / tetrahydrofuran / 1 h / -78 - 23 °C / Inert atmosphere

With toluene-4-sulfonic acid; lithium hexamethyldisilazane; In tetrahydrofuran;

DOI:10.1021/acs.orglett.0c03695

Reference yield:

methyl 3-chloropropanimidate hydrochloride (77570-15-1) → methyl (1S,2S,3S,Z)-3-benzoyl-N-((S)-tert-butylsulfinyl)-2-(4-fluorophenyl)cyclopentane-1-carbimidate

Guidance literature:

Multi-step reaction with 3 steps

1: 20 °C / Inert atmosphere

2: toluene-4-sulfonic acid / 85 °C / Inert atmosphere

3: lithium hexamethyldisilazane / tetrahydrofuran / 1 h / -78 - 23 °C / Inert atmosphere

With toluene-4-sulfonic acid; lithium hexamethyldisilazane; In tetrahydrofuran;

DOI:10.1021/acs.orglett.0c03695

upstream raw materials:

methanol

4-Chlorobutyronitrile

Refernces

• 1、 Tseng, Ming-Chung,Tseng, Min-Jen,Chu, Yen-Ho. "Affinity ionic liquid". supporting information; experimental part. p. 7503 - 7505. Retrieved 2010/05/01.
• 2、 Ueno,Maruyama,Miyake,Nakao,Nakao,Umezu,Nitta. "Synthesis and evaluation of antiinflammatory activities of a series of corticosteroid 17α-esters containing a functional group". . p. 2468 - 2473. Retrieved 2007/10/02.