4-Chloro-2-methyl-6-phenylpyrimidine-5-carbonitrile

Base Information

• Chemical Name: 4-Chloro-2-methyl-6-phenylpyrimidine-5-carbonitrile
• CAS No.: 142076-88-8
• Molecular Formula: C₁₂H₈ClN₃
• Molecular Weight: 229.669
• DSSTox Substance ID: DTXSID20356975
• Wikidata: Q82136632
• Mol file: 142076-88-8.mol

Synonyms:142076-88-8;4-chloro-2-methyl-6-phenylpyrimidine-5-carbonitrile;5-Pyrimidinecarbonitrile, 4-chloro-2-methyl-6-phenyl-;DTXSID20356975

Chemical Property of 4-Chloro-2-methyl-6-phenylpyrimidine-5-carbonitrile

Chemical Property:

• PSA: 49.57000
• LogP: 2.97708
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 229.0406750
• Heavy Atom Count: 16
• Complexity: 279

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC(=C(C(=N1)Cl)C#N)C2=CC=CC=C2

Technology Process of 4-Chloro-2-methyl-6-phenylpyrimidine-5-carbonitrile

There total 1 articles about 4-Chloro-2-methyl-6-phenylpyrimidine-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: 58.0%

2-Methyl-6-phenyl-4-thioxo-3,4-dihydro-3H-pyrimidin-5-carbonitril (13996-07-1) → 4-Chlor-2-methyl-6-phenylpyrimidin-5-carbonitril (142076-88-8)

Guidance literature:

With phosphorus pentachloride; trichlorophosphate; for 5h; to 80 deg C;

DOI:10.1002/ardp.19923250506

Reference yield: 82.0%

6-Amino-1,3-dimethylbarbituric acid (6642-31-5) + 4-Chlor-2-methyl-6-phenylpyrimidin-5-carbonitril (142076-88-8) → 5-amino-2,7,9-trimethyl-4-phenylpyrimido[4',5':4,5]pyrido[2,3-d]pyrimidine-8,10(7H,9H)-dione (1242681-68-0)

Guidance literature:

With triethylamine; In ethanol; Reflux;

DOI:10.1007/s10593-010-0507-0

Reference yield: 63.0%

4-Chlor-2-methyl-6-phenylpyrimidin-5-carbonitril (142076-88-8) + potassium hydrogen cyanamide (1239708-10-1) → Kalium-N-(2-methyl-6-phenyl-5-cyanpyrimidin-4-yl)cyanamid (142386-61-6)

Guidance literature:

In methanol; Heating;

DOI:10.1002/ardp.19923250506

upstream raw materials:

2-Methyl-6-phenyl-4-thioxo-3,4-dihydro-3H-pyrimidin-5-carbonitril

Downstream raw materials:

Kalium-N-(2-methyl-6-phenyl-5-cyanpyrimidin-4-yl)cyanamid

4-N-Cyanimino-2-methyl-6-phenyl-3H-pyrimidin-5-carbonitril

5-amino-2,7,9-trimethyl-4-phenylpyrimido[4',5':4,5]pyrido[2,3-d]pyrimidine-8,10(7H,9H)-dione

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