2,4-Dichloropyrimidine-5-carbonitrile

Base Information

• Chemical Name: 2,4-Dichloropyrimidine-5-carbonitrile
• CAS No.: 3177-24-0
• Molecular Formula: C5HCl2N3
• Molecular Weight: 173.989
• Hs Code.: 29335990
• European Community (EC) Number: 688-595-9
• DSSTox Substance ID: DTXSID10554569
• Wikidata: Q72468068
• Mol file: 3177-24-0.mol

Synonyms:2,4-Dichloro-5-cyanopyrimidine;3177-24-0;2,4-dichloropyrimidine-5-carbonitrile;MFCD09746248;Ironphthalocyanine;2,4-dichloro-5-pyrimidinecarbonitrile;SCHEMBL9043;2,6-dichloro-5-cyanopyrimidine;DTXSID10554569;KMHSUNDEGHRBNV-UHFFFAOYSA-N;AKOS005255838;AC-3018;CS-W009070;GS-6550;PB18997;2,4-dichloro-pyrimidine-5-carbonitrile;AM807231;SY003577;2 pound not4-Dichloropyrimidine-5-carbonitrile;EN300-264712;A820982;J-507128;Z1198222315;2,4-Dichloropyrimidine-5-carbonitrile

Chemical Property of 2,4-Dichloropyrimidine-5-carbonitrile

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 62-63℃
• Refractive Index: 1.591
• Boiling Point: 323.916 °C at 760 mmHg
• PKA: -5.54±0.29(Predicted)
• Flash Point: 149.699 °C
• PSA: 49.57000
• Density: 1.607 g/cm³
• LogP: 1.65508
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 172.9547524
• Heavy Atom Count: 10
• Complexity: 164

Purity/Quality:

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

2,4-Dichloro-5-cyanopyrimidine ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C(=NC(=N1)Cl)Cl)C#N

Technology Process of 2,4-Dichloropyrimidine-5-carbonitrile

There total 3 articles about 2,4-Dichloropyrimidine-5-carbonitrile 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: 64.0%

5-cyanouracil (4425-56-3,5428-41-1) → 2,4-dichloropyrimidine-5-carbonitrile (3177-24-0)

Guidance literature:

With phosphorus pentachloride; trichlorophosphate; at 115 ℃; for 4h;

DOI:10.1021/jm100556b

Reference yield:

2,4-dihydroxypyrimidine-5-carboxamide → 2,4-dichloropyrimidine-5-carbonitrile (3177-24-0)

Guidance literature:

With trichlorophosphate; at 100 ℃; for 15h; Large scale;

Reference yield:

→ 2,4-dichloropyrimidine-5-carbonitrile (3177-24-0)

Guidance literature:

2,4-Dihydroxy-5-cyan-pyrimidin, Phosphoroxychlorid, Diaethylanilin;

DOI:10.1021/jo01053a539

upstream raw materials:

5-cyanouracil

Downstream raw materials:

4-chloro-2-({[2-(trifluoromethoxy)phenyl]methyl}amino)pyrimidine-5-carbonitrile

(1S,3R)-3-(5-(aminomethyl)pyrimidin-4-ylamino)cyclohexanol

2-(cyclohexylamino)-4-((1R,3S)-3-hydroxycyclohexyl-amino)pyrimidine-5-carbonitrile

Refernces

• 1、 -. "2,4-Pyrimidinediamine Compounds and Their Uses". Paragraph 0313; 0314. . Retrieved 2015/11/10.
• 2、 -. "Pyrimidine derivatives useful as inhibitors of PKC-theta". Page/Page column 104. . Retrieved 2008/06/13.