3-METHYL-3-AZETIDINECARBONITRILE HYDROCHLORIDE

Base Information

• Chemical Name: 3-METHYL-3-AZETIDINECARBONITRILE HYDROCHLORIDE
• CAS No.: 936850-33-8
• Molecular Formula: C5H8N2.ClH
• Molecular Weight: 132.593
• Hs Code.: 2933990090
• Mol file: 936850-33-8.mol

Synonyms:3-METHYL-3-AZETIDINECARBONITRILE HYDROCHLORIDE;3-Cyano-3-Methylazetidine...;3-Cyano-3-Methylazetidine hydrochloride;3-Methyl-3-azetidinecarbonitrile HCl;3-Methylazetidine-3-carbonitrile hydrochloride

Chemical Property of 3-METHYL-3-AZETIDINECARBONITRILE HYDROCHLORIDE

Chemical Property:

• PSA: 35.82000
• LogP: 1.25028
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C

Purity/Quality:

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

3-Methylazetidine-3-carbonitrileHydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 3-Methylazetidine-3-carbonitrile Hydrochloride is used for preparation of pyrrolopyrazine as kinase inhibitors useful for the treatment of autoimmune and inflammatory diseases.

Technology Process of 3-METHYL-3-AZETIDINECARBONITRILE HYDROCHLORIDE

There total 1 articles about 3-METHYL-3-AZETIDINECARBONITRILE 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%

tert-butyl 3-cyano-3-methylazetidine-1-carboxylate (936850-09-8) → 3-methylazetidine-3-carbonitrile hydrochloride (936850-33-8)

Guidance literature:

tert-butyl 3-cyano-3-methylazetidine-1-carboxylate; With 2,2,2-trifluoroethanol; at 150 ℃; for 4h; Microwave irradiation; Inert atmosphere;

With hydrogenchloride; In diethyl ether; at 0 ℃;

Reference yield: 72.3%

3-methylazetidine-3-carbonitrile hydrochloride (936850-33-8) + (S)-tert-butyl ((6-(2,2'-dichloro-3'-(2-(hydroxymethyl)-3-methyl-4-oxo-3,4-dihydropyrrolo[2,1-f][1,2,4]triazin-6-yl)-[1,1'-biphenyl]-3-yl)-2-methoxypyridin-3-yl)methyl)((5-oxopyrrolidin-2-yl)methyl)carbamate → tert-butyl N-[[6-[2-chloro-3-[2-chloro-3-[2-[(3-cyano-3-methylazetidin-1-yl)methyl]-3-methyl-4-oxopyrrolo[2,1-f][1,2,4]triazin-6-yl]phenyl]phenyl]-2-methoxy-3-pyridyl]methyl]-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]carbamate

Guidance literature:

(S)-tert-butyl ((6-(2,2'-dichloro-3'-(2-(hydroxymethyl)-3-methyl-4-oxo-3,4-dihydropyrrolo[2,1-f][1,2,4]triazin-6-yl)-[1,1'-biphenyl]-3-yl)-2-methoxypyridin-3-yl)methyl)((5-oxopyrrolidin-2-yl)methyl)carbamate; With methanesulfonyl chloride; triethylamine; In dichloromethane; at 20 ℃; for 1h;

3-methylazetidine-3-carbonitrile hydrochloride; With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 12h;

Reference yield: 56.0%

3-methylazetidine-3-carbonitrile hydrochloride (936850-33-8) + N-[cis-3-(methyl-{7-[(4-methylphenyl)sulfonyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}amino)cyclobutyl]-2-oxo-1,3-oxazolidine-3-sulfonamide → C23H27N7O4S2

Guidance literature:

With triethylamine; In acetonitrile; at 120 ℃; for 1h; Inert atmosphere; Microwave irradiation;

upstream raw materials:

tert-butyl 3-cyano-3-methylazetidine-1-carboxylate

Refernces

• 1、 -. "Pyrrolopyrazine Kinase Inhibitors". Page/Page column 90. . Retrieved 2011/10/10.