4-CyanobenzaMidine Hydrochloride

Base Information

• Chemical Name: 4-CyanobenzaMidine Hydrochloride
• CAS No.: 117837-77-1
• Molecular Formula: C8H8ClN3
• Molecular Weight: 181.625
• Hs Code.: 2926907090
• Mol file: 117837-77-1.mol

Synonyms:4-CyanobenzaMidine Hydrochloride

Chemical Property of 4-CyanobenzaMidine Hydrochloride

Chemical Property:

• PSA: 73.66000
• LogP: 2.44438
• Storage Temp.: Inert atmosphere,Room Temperature

Purity/Quality:

97% ^*data from raw suppliers

4-Cyanobenzamidine hydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4-CyanobenzaMidine Hydrochloride

There total 3 articles about 4-CyanobenzaMidine 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: 76.0%

4-cyanobenzoic acid methyl ester (1129-35-7) → p-cyanobenzamidine hydrochloride (117837-77-1)

Guidance literature:

4-cyanobenzoic acid methyl ester; With trimethylaluminum; ammonium chloride; In hexane; toluene; at 0 - 80 ℃;

With methanol; In hexane; toluene; at 20 ℃; for 1h;

Reference yield:

terephthalonitrile (623-26-7) → p-cyanobenzamidine hydrochloride (117837-77-1)

Guidance literature:

terephthalonitrile; With sodium methylate; In methanol; at 20 ℃; for 50h;

With ammonium chloride; In methanol; at 20 ℃; for 60h;

DOI:10.1021/ol060188c

Reference yield:

terephthalonitrile (623-26-7) → rac.-4-[5-(2-methoxy-phenoxy)-4,6-dioxo-1,4,5,6-tetrahydro-pyrimidin-2-yl]-benzo-nitrile + p-cyanobenzamidine hydrochloride (117837-77-1)

Guidance literature:

With ammonium chloride; sodium methylate; In methanol;

upstream raw materials:

4-cyanobenzoic acid methyl ester

terephthalonitrile

Downstream raw materials:

5-propyl-2-(p-cyanophenyl)pyrimidine

5-propyl-5'-pentyloxy-1,4-bis-(pyrimidin-2-yl)benzene

5-propyl-5'-dimethylaminomethyleneamino-1,4-bis-(pyrimidin-2-yl)benzene

5-propyl-2-(p-carbamoylphenyl)pyrimidine

Refernces

• 1、 Moss, Robert A.,Tian, Jingzhi. "Hammett studies of aryldichloromethide carbanion reactions". . p. 1245 - 1247. Retrieved 2007/10/03.
• 2、 Gielen, Heike,Alonso-Alija, Cristina,Hendrix, Martin,Niew?hner, Ulrich,Schauss, Dagmar. "A novel approach to amidines from esters". . p. 419 - 421. Retrieved 2007/10/03.