6-Chloro-N2,N2-dimethylpyrimidine-2,4-diamine

Base Information

• Chemical Name: 6-Chloro-N2,N2-dimethylpyrimidine-2,4-diamine
• CAS No.: 1075-39-4
• Molecular Formula: C₆H₉ClN₄
• Molecular Weight: 172.617
• Hs Code.: 2933599090
• ChEMBL ID: CHEMBL44353
• DSSTox Substance ID: DTXSID20540054
• Wikidata: Q82415924
• Mol file: 1075-39-4.mol

Synonyms:1075-39-4;6-Chloro-N2,N2-dimethylpyrimidine-2,4-diamine;6-CHLORO-N~2~,N~2~-DIMETHYL-2,4-PYRIMIDINEDIAMINE;6-chloro-2-N,2-N-dimethylpyrimidine-2,4-diamine;6-Chloro-N~2~,N~2~-dimethylpyrimidine-2,4-diamine;6-Chloro-N2,N2-dimethyl-2,4-pyrimidinediamine;CHEMBL44353;SCHEMBL11398865;DTXSID20540054;BAA07539;MFCD09864563;AKOS006280551;SB56895;BS-36834;CS-0339504

Chemical Property of 6-Chloro-N2,N2-dimethylpyrimidine-2,4-diamine

Chemical Property:

• Vapor Pressure: 9.06E-05mmHg at 25°C
• Boiling Point: 339.7°C at 760 mmHg
• Flash Point: 159.2°C
• PSA: 55.04000
• Density: 1.347g/cm³
• LogP: 1.35940
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 172.0515740
• Heavy Atom Count: 11
• Complexity: 130

Purity/Quality:

97% ^*data from raw suppliers

6-Chloro-n~2~,n~2~-dimethyl-2,4-pyrimidinediamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 6-Chloro-N2,N2-dimethylpyrimidine-2,4-diamine

There total 4 articles about 6-Chloro-N2,N2-dimethylpyrimidine-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: 52.0%

4,6-dichloro-N,N-dimethyl-pyrimidin-2-amine (5734-68-9) → 4-Amino-6-chlor-2-dimethylamino-pyrimidin (1075-39-4)

Guidance literature:

With ammonia; In ethanol; at 120 ℃; for 18h;

DOI:10.1021/jm00378a016

Reference yield:

4-amino-2,6-dichloropyrimidine (10132-07-7) + dimethyl amine (124-40-3) → 4-Amino-6-chlor-2-dimethylamino-pyrimidin (1075-39-4)

Guidance literature:

With ethanol;

DOI:10.1093/gerona/56.4.M212

Reference yield:

2-dimethylamino-1H-pyrimidine-4,6-dione (117290-56-9) → 4-Amino-6-chlor-2-dimethylamino-pyrimidin (1075-39-4)

Guidance literature:

Multi-step reaction with 2 steps

1: POCl₃

2: ethanol; NH₃ / 110 - 120 °C

With ethanol; ammonia; trichlorophosphate;

DOI:10.1093/gerona/56.4.M212

upstream raw materials:

4-amino-2,6-dichloropyrimidine

dimethyl amine

4,6-dichloro-N,N-dimethyl-pyrimidin-2-amine

2-dimethylamino-1H-pyrimidine-4,6-dione