1-[2,6-diamino-5-(4-chlorophenyl)pyrimidin-4-yl]-N-methylethanimine oxide

Base Information

• Chemical Name: 1-[2,6-diamino-5-(4-chlorophenyl)pyrimidin-4-yl]-N-methylethanimine oxide
• CAS No.: 58361-02-7
• Molecular Formula: C₁₃H₁₄ClN₅O
• Molecular Weight: 291.74
• NSC Number: 287099
• DSSTox Substance ID: DTXSID90421063
• Wikidata: Q82232415
• ChEMBL ID: CHEMBL3272936

Synonyms:NSC287099;58361-02-7;CHEMBL3272936;DTXSID90421063;NSC-287099

Chemical Property of 1-[2,6-diamino-5-(4-chlorophenyl)pyrimidin-4-yl]-N-methylethanimine oxide

Chemical Property:

• Vapor Pressure: 6.01E-14mmHg at 25°C
• Boiling Point: 591.1°Cat760mmHg
• Flash Point: 311.3°C
• Density: 1.341g/cm³
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 291.0886878
• Heavy Atom Count: 20
• Complexity: 370

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=[N+](C)[O-])C1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl
• Isomeric SMILES: C/C(=[N+](\C)/[O-])/C1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl

Technology Process of 1-[2,6-diamino-5-(4-chlorophenyl)pyrimidin-4-yl]-N-methylethanimine oxide

There total 2 articles about 1-[2,6-diamino-5-(4-chlorophenyl)pyrimidin-4-yl]-N-methylethanimine oxide 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:

N-methylhydroxyamine hydrochloride (4229-44-1) + 1-[2,6-diamino-5-(4-chloro-phenyl)-pyrimidin-4-yl]-ethanone (58360-93-3) → 5-(4-chloro-phenyl)-6-[1-(methyl-oxy-imino)-ethyl]-pyrimidine-2,4-diamine (58361-02-7)

Guidance literature:

Reference yield:

→ 5-(4-chloro-phenyl)-6-[1-(methyl-oxy-imino)-ethyl]-pyrimidine-2,4-diamine (58361-02-7)

Guidance literature:

Methylketon 6;

DOI:10.1021/jm00227a029

upstream raw materials:

N-methylhydroxyamine hydrochloride

1-[2,6-diamino-5-(4-chloro-phenyl)-pyrimidin-4-yl]-ethanone

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