N2,N2-dimethylpyrimidine-2,5-diamine

Base Information

• Chemical Name: N2,N2-dimethylpyrimidine-2,5-diamine
• CAS No.: 56621-99-9
• Molecular Formula: C6H10 N4
• Molecular Weight: 138.172
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID10480854
• Nikkaji Number: J2.672.250K
• Wikidata: Q82315962
• Mol file: 56621-99-9.mol

Synonyms:N2,N2-dimethylpyrimidine-2,5-diamine;56621-99-9;2-N,2-N-dimethylpyrimidine-2,5-diamine;N,N-DIMETHYL-PYRIMIDINE-2,5-DIAMINE;SCHEMBL5132886;5-amino-2-dimethylaminopyrimidine;DTXSID10480854;MFCD11656641;AKOS010388930;DS-3680;SB57718;CS-0151305;EN300-116167;A831126;F8881-6445;N2 pound notN2-Dimethylpyrimidine-2 pound not5-diamine;Z760032920

Chemical Property of N2,N2-dimethylpyrimidine-2,5-diamine

Chemical Property:

• Melting Point: 83.0-83.5 °C
• Boiling Point: 298.3±32.0 °C(Predicted)
• PKA: 5.11±0.10(Predicted)
• PSA: 55.04000
• Density: 1.189±0.06 g/cm3(Predicted)
• LogP: 0.70600
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 0
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 138.090546336
• Heavy Atom Count: 10
• Complexity: 95.9

Purity/Quality:

99% ^*data from raw suppliers

N2,N2-Dimethylpyrimidine-2,5-diamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of N2,N2-dimethylpyrimidine-2,5-diamine

There total 3 articles about N2,N2-dimethylpyrimidine-2,5-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: 81.0%

5-N-benzylamino-2-N,N-dimethylaminopyrimidine (1083329-56-9) → 5-amino-2-N,N-dimethylaminopyrimidine (56621-99-9)

Guidance literature:

With Pd/C; ammonium formate; In methanol; for 0.5h; Reflux;

DOI:10.1021/jo801501e

Reference yield:

5-bromo-N,N-dimethylpyrimidin-2-amine (38696-21-8) → 5-amino-2-N,N-dimethylaminopyrimidine (56621-99-9)

Guidance literature:

Multi-step reaction with 2 steps

1.1: copper(l) iodide; potassium carbonate; L-proline / dimethyl sulfoxide / Inert atmosphere

1.2: 80 °C / Inert atmosphere

2.1: palladium on activated charcoal; ammonium formate / methanol / Reflux

With copper(l) iodide; palladium on activated charcoal; ammonium formate; potassium carbonate; L-proline; In methanol; dimethyl sulfoxide;

DOI:10.1021/jo301013c

Reference yield:

→ 5-amino-2-N,N-dimethylaminopyrimidine (56621-99-9)

Guidance literature:

Pyrimidin-Derivat Ii, wss. K2CO3;

upstream raw materials:

5-N-benzylamino-2-N,N-dimethylaminopyrimidine

5-bromo-N,N-dimethylpyrimidin-2-amine