2-Pyrimidinecarbonitrile, 4-amino- (9CI)

Base Information

• Chemical Name: 2-Pyrimidinecarbonitrile, 4-amino- (9CI)
• CAS No.: 245321-46-4
• Molecular Formula: C5H4 N4
• Molecular Weight: 120.11206
• Hs Code.: 2933599090
• Mol file: 245321-46-4.mol

Synonyms:2-Pyrimidinecarbonitrile, 4-amino- (9CI);4-aminopyrimidine-2-carbonitrile

Chemical Property of 2-Pyrimidinecarbonitrile, 4-amino- (9CI)

Chemical Property:

• Boiling Point: 367.3±34.0 °C(Predicted)
• PKA: 0.22±0.10(Predicted)
• PSA: 75.59000
• Density: 1.34±0.1 g/cm3(Predicted)
• LogP: 0.51168
• Storage Temp.: 2-8°C(protect from light)

Purity/Quality:

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

4-Aminopyrimidine-2-carbonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 2-Pyrimidinecarbonitrile, 4-amino- (9CI)

There total 2 articles about 2-Pyrimidinecarbonitrile, 4-amino- (9CI) 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: 27.0%

2-chloropyrimidin-4-amine (7461-50-9) + sodium cyanide (143-33-9,25596-52-5) → 4-aminopyrimidine-2-carbonitrile (245321-46-4)

Guidance literature:

In N,N-dimethyl-formamide; at 110 ℃; for 65h;

DOI:10.1016/S0960-894X(99)00299-1

Reference yield: 26.8%

sodium cyanide (773837-37-9) + 2-chloropyrimidin-4-amine (7461-50-9) → 4-aminopyrimidine-2-carbonitrile (245321-46-4)

Guidance literature:

With DABCO; In water; dimethyl sulfoxide; at 60 ℃; for 6h;

Reference yield: 94.0%

4-aminopyrimidine-2-carbonitrile (245321-46-4) → 4-amino-pyrimidine-2-carbothioic acid amide (245321-47-5)

Guidance literature:

With pyridine; hydrogen sulfide; triethylamine; for 6h; Ambient temperature;

DOI:10.1016/S0960-894X(99)00299-1

upstream raw materials:

2-chloropyrimidin-4-amine

sodium cyanide

sodium cyanide

Downstream raw materials:

4-amino-pyrimidine-2-carbothioic acid amide

phosphoric acid 4-[2-(4-amino-pyrimidin-2-yl)-5-methyl-thiazol-4-yl]-phenyl ester diethyl ester

Refernces

• 1、 Caravatti, Giorgio,Rahuel, Joseph,Brigitte, Gay,Furet, Pascal. "Structure-based design of a non-peptidic antagonist of the SH2 domain of Grb2". . p. 1973 - 1978. Retrieved 2007/10/03.