2-Pyrimidinecarboximidamide (9CI)

Base Information

• Chemical Name: 2-Pyrimidinecarboximidamide (9CI)
• CAS No.: 45695-56-5
• Molecular Formula: C5H6N4
• Molecular Weight: 122.129
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID30430755
• Nikkaji Number: J1.646.359K
• Wikidata: Q72504837
• Mol file: 45695-56-5.mol

Synonyms:2-Pyrimidinecarboxamidine(6CI);2-Amidinopyrimidine;

Chemical Property of 2-Pyrimidinecarboximidamide (9CI)

Chemical Property:

• Melting Point: 125-126℃
• Boiling Point: 287.35 °C at 760 mmHg
• Flash Point: 127.585 °C
• PSA: 75.65000
• Density: 1.4 g/cm³
• LogP: 0.56070
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: -1.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 122.059246208
• Heavy Atom Count: 9
• Complexity: 106

Purity/Quality:

99%, ^*data from raw suppliers

Pyrimidine-2-carboxamidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CN=C(N=C1)C(=N)N

Technology Process of 2-Pyrimidinecarboximidamide (9CI)

There total 8 articles about 2-Pyrimidinecarboximidamide (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: 76.0%

2-cyanopyrimidine (14080-23-0) → pyrimidine-2-carboxamidine (45695-56-5)

Guidance literature:

In methanol; ammonia;

Reference yield: 40.0%

2-cyanopyrimidine (14080-23-0) + lithium hexamethyldisilazane (4039-32-1) → pyrimidine-2-carboxamidine (45695-56-5)

Guidance literature:

With hydrogenchloride; In tetrahydrofuran; diethyl ether; water;

Reference yield:

pyrimidine-2-carboxamide (88511-48-2) → pyrimidine-2-carboxamidine (45695-56-5)

Guidance literature:

Multi-step reaction with 2 steps

1: POCl₃

With trichlorophosphate;

upstream raw materials:

2-cyanopyrimidine

methyl magnesium iodide

diethyl ether

pyrimidine-2-carboxamide

Downstream raw materials:

methyl 6-chloro-4-(3,4-difluorophenyl)-4-methyl-2-(pyrimidin-2-yl)-1,4-dihydropyrimidine-5-carboxylate

4-hydroxy-N-(2-phenylpropan-2-yl)-[2,2′-bipyrimidine]-5-carboxamide

2-ethoxy-pyrimidine

1-phenyl-6-(phenylamino)-4-(pyrimidin-2-yl)-1,3,5-triazine-2(1H)-thione

Refernces

• 1、 -. "Novel Pyrimidine- And Triazine-Hepcidine Antagonists". . . Retrieved 2015/09/30.