4,6-Bis(1-aziridinyl)-2-phenyl-5-pyrimidinamine

Base Information

• Chemical Name: 4,6-Bis(1-aziridinyl)-2-phenyl-5-pyrimidinamine
• CAS No.: 64398-69-2
• Molecular Formula: C14H15N5
• Molecular Weight: 253.3
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID30214633
• Nikkaji Number: J70.270F
• Wikidata: Q83090520
• Mol file: 64398-69-2.mol

Synonyms:64398-69-2;5-Pyrimidinamine, 4,6-bis(1-aziridinyl)-2-phenyl-;4,6-Bis(1-aziridinyl)-2-phenyl-5-pyrimidinamine;DTXSID30214633

Chemical Property of 4,6-Bis(1-aziridinyl)-2-phenyl-5-pyrimidinamine

Chemical Property:

• Vapor Pressure: 7.12E-06mmHg at 25°C
• Boiling Point: 376.7°C at 760 mmHg
• Flash Point: 181.6°C
• PSA: 57.82000
• Density: 1.395g/cm³
• LogP: 2.07700
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 253.13274550
• Heavy Atom Count: 19
• Complexity: 300

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN1C2=C(C(=NC(=N2)C3=CC=CC=C3)N4CC4)N

Technology Process of 4,6-Bis(1-aziridinyl)-2-phenyl-5-pyrimidinamine

There total 4 articles about 4,6-Bis(1-aziridinyl)-2-phenyl-5-pyrimidinamine 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:

4,6-bis-aziridin-1-yl-5-nitro-2-phenyl-pyrimidine (64440-99-9) → 4,6-bis-aziridin-1-yl-2-phenyl-pyrimidin-5-ylamine (64398-69-2)

Guidance literature:

With methanol; nickel; benzene; Hydrogenation;

DOI:10.1093/qjmed/93.9.639

Reference yield:

2-phenyl-1H-pyrimidine-4,6-dione (63447-35-8) → 4,6-bis-aziridin-1-yl-2-phenyl-pyrimidin-5-ylamine (64398-69-2)

Guidance literature:

Multi-step reaction with 3 steps

1: aqueous HNO₃ / Erwaermen des erhaltenen 5-Nitro-2-phenyl-1H-pyrimidin-4,6-dions mit POCl₃ und N,N-Dimethyl-anilin

3: Raney nickel; benzene; methanol / Hydrogenation

With methanol; nitric acid; nickel; benzene;

DOI:10.1093/qjmed/93.9.639

Reference yield:

2-Phenyl-5-nitro-4,6-dichloro-pyrimidine (68921-91-5) → 4,6-bis-aziridin-1-yl-2-phenyl-pyrimidin-5-ylamine (64398-69-2)

Guidance literature:

Multi-step reaction with 2 steps

2: Raney nickel; benzene; methanol / Hydrogenation

With methanol; nickel; benzene;

DOI:10.1093/qjmed/93.9.639

upstream raw materials:

4,6-bis-aziridin-1-yl-5-nitro-2-phenyl-pyrimidine

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

2-Phenyl-5-nitro-4,6-dichloro-pyrimidine

benzamidin