4-N-(4-bromophenyl)-6-methylpyrimidine-2,4-diamine

Base Information

• Chemical Name: 4-N-(4-bromophenyl)-6-methylpyrimidine-2,4-diamine
• CAS No.: 6633-69-8
• Molecular Formula: C11H11BrN4
• Molecular Weight: 279.139
• NSC Number: 42139
• DSSTox Substance ID: DTXSID00984937
• Mol file: 6633-69-8.mol

Synonyms:6633-69-8;4-N-(4-bromophenyl)-6-methylpyrimidine-2,4-diamine;NSC42139;n4-(4-bromophenyl)-6-methylpyrimidine-2,4-diamine;SCHEMBL13963079;DTXSID00984937;NSC-42139;AKOS015937867;N-(4-bromophenyl)-6-methylpyrimidine-2,4-diamine;N-(4-Bromophenyl)-2-imino-6-methyl-1,2-dihydropyrimidin-4-amine

Chemical Property of 4-N-(4-bromophenyl)-6-methylpyrimidine-2,4-diamine

Chemical Property:

• Vapor Pressure: 3.12E-09mmHg at 25°C
• Boiling Point: 476.2°C at 760 mmHg
• Flash Point: 241.8°C
• PSA: 63.83000
• Density: 1.58g/cm³
• LogP: 3.52750
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 278.01671
• Heavy Atom Count: 16
• Complexity: 218

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC(=NC(=N1)N)NC2=CC=C(C=C2)Br

Technology Process of 4-N-(4-bromophenyl)-6-methylpyrimidine-2,4-diamine

There total 3 articles about 4-N-(4-bromophenyl)-6-methylpyrimidine-2,4-diamine 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:

2-amino-6-methyl-4-chloropyrimidine (5600-21-5) + 4-bromo-aniline (106-40-1) → N4-(4-bromo-phenyl)-6-methyl-pyrimidine-2,4-diamine (6633-69-8)

Guidance literature:

With hydrogenchloride;

DOI:10.1021/ja01135a063

Reference yield:

2-amino-6-methylpyrimidin-4-ol (3977-29-5) → N4-(4-bromo-phenyl)-6-methyl-pyrimidine-2,4-diamine (6633-69-8)

Guidance literature:

Multi-step reaction with 2 steps

1: trichlorophosphate / toluene / 110 °C

2: hydrogenchloride / ethanol; water / 3 h / 40 °C

With hydrogenchloride; trichlorophosphate; In ethanol; water; toluene;

DOI:10.1016/j.bioorg.2018.03.019

Reference yield:

→ N4-(4-bromo-phenyl)-6-methyl-pyrimidine-2,4-diamine (6633-69-8)

Guidance literature:

4-Chlor-2-amino-6-methyl-pyrimidin, 4-Brom-anilin, konz. HCl, bis 185grad/20';

upstream raw materials:

2-amino-6-methyl-4-chloropyrimidine

4-bromo-aniline

2-amino-6-methylpyrimidin-4-ol

Downstream raw materials:

5-bromo-N⁴-(4-bromo-phenyl)-6-methyl-pyrimidine-2,4-diamine

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