6-chloro-4-N-propylpyrimidine-2,4-diamine

Base Information

• Chemical Name: 6-chloro-4-N-propylpyrimidine-2,4-diamine
• CAS No.: 54768-73-9
• Molecular Formula: C7H11ClN4
• Molecular Weight: 186.642
• European Community (EC) Number: 635-763-4
• NSC Number: 36832
• DSSTox Substance ID: DTXSID60970098

Synonyms:54768-73-9;6-chloro-n4-propylpyrimidine-2,4-diamine;6-chloro-4-N-propylpyrimidine-2,4-diamine;NSC36832;SCHEMBL8597545;DTXSID60970098;CJLHKXMIVVKVIW-UHFFFAOYSA-N;NSC-36832;AKOS024337987;SR-01000645691;SR-01000645691-1;6-Chloro-N~4~-propylpyrimidine-2,4(1H,3H)-diimine

Chemical Property of 6-chloro-4-N-propylpyrimidine-2,4-diamine

Chemical Property:

• Vapor Pressure: 7.59E-07mmHg at 25°C
• Boiling Point: 407.4°Cat760mmHg
• Flash Point: 200.2°C
• Density: 1.309g/cm³
• XLogP3: 2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 186.0672241
• Heavy Atom Count: 12
• Complexity: 133

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCNC1=CC(=NC(=N1)N)Cl

Technology Process of 6-chloro-4-N-propylpyrimidine-2,4-diamine

There total 1 articles about 6-chloro-4-N-propylpyrimidine-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: 89.0%

propylamine (107-10-8,42939-71-9) + 2-Amino-4,6-dichloropyrimidine (56-05-3) → 6-chloro-N4-propyl-2,4-pyrimidinediamine (54768-73-9)

Guidance literature:

With triethylamine; In neat (no solvent); Heating;

DOI:10.1016/j.tetlet.2015.01.153

Reference yield:

6-chloro-N4-propyl-2,4-pyrimidinediamine (54768-73-9) + phenylboronic acid (98-80-6) → 6-phenyl-4-N-propylpyrimidine-2,4-diamine (1612179-61-9)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium carbonate; In 1,4-dioxane; water;

upstream raw materials:

propylamine

2-Amino-4,6-dichloropyrimidine

Downstream raw materials:

6-phenyl-4-N-propylpyrimidine-2,4-diamine

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