6-Chloro-n4,n4-dimethylpyrimidine-2,4-diamine

Base Information

• Chemical Name: 6-Chloro-n4,n4-dimethylpyrimidine-2,4-diamine
• CAS No.: 1007-11-0
• Molecular Formula: C₆H₉ClN₄
• Molecular Weight: 172.617
• Hs Code.: 2933599090
• NSC Number: 72462
• DSSTox Substance ID: DTXSID20291019
• Wikidata: Q82028847
• Mol file: 1007-11-0.mol

Synonyms:1007-11-0;6-chloro-n4,n4-dimethylpyrimidine-2,4-diamine;6-chloro-4-N,4-N-dimethylpyrimidine-2,4-diamine;6-chloro-N~4~,N~4~-dimethylpyrimidine-2,4-diamine;NSC 72462;2,4-pyrimidinediamine, 6-chloro-N~4~,N~4~-dimethyl-;6-Chloro-N4,N4-dimethyl-2,4-pyrimidinediamine;2,4-Pyrimidinediamine, 6-chloro-N4,N4-dimethyl-;6-chloro-N4,N4-dimethyl-pyrimidine-2,4-diamine;NSC72462;NCIOpen2_000431;SCHEMBL1320790;DTXSID20291019;AMY39221;MFCD13188630;NSC-72462;AKOS005173696;DS-3111;SB57394;CS-0034487;FT-0683537;C71041;A897363;2-Amino-6-chloro-4-(dimethylamino)pyrimidine, 97%

Chemical Property of 6-Chloro-n4,n4-dimethylpyrimidine-2,4-diamine

Chemical Property:

• Vapor Pressure: 4.1E-06mmHg at 25°C
• Boiling Point: 384.4°Cat760mmHg
• Flash Point: 186.3°C
• PSA: 55.04000
• Density: 1.347g/cm³
• LogP: 1.35940
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• 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-N4,N4-dimethylpyrimidine-2,4-diamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 6-Chloro-n4,n4-dimethylpyrimidine-2,4-diamine

There total 2 articles about 6-Chloro-n4,n4-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: 94.0%

2-Amino-4,6-dichloropyrimidine (56-05-3) + dimethyl amine (124-40-3) → 6-chloro-N4,N4-dimethylpyrimidine-2,4-diamine (1007-11-0)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In acetonitrile; at 50 ℃; for 1.5h;

Reference yield:

2-Amino-4,6-dichloropyrimidine (56-05-3) + N,N-dimethylammonium chloride (506-59-2) → 6-chloro-N4,N4-dimethylpyrimidine-2,4-diamine (1007-11-0)

Guidance literature:

With triethylamine; In methanol; at 50 ℃; for 2h;

Reference yield:

(4-cyano-3-fluorophenyl)boronic acid (843663-18-3) + 6-chloro-N4,N4-dimethylpyrimidine-2,4-diamine (1007-11-0) → C13H12FN5 (1271022-21-9)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; sodium hydrogencarbonate; In 1,4-dioxane; water; at 90 - 100 ℃;

DOI:10.1021/jm101527u

upstream raw materials:

2-Amino-4,6-dichloropyrimidine

dimethyl amine

N,N-dimethylammonium chloride

Downstream raw materials:

C₁₃H₁₂FN₅