2-(1-Aziridinyl)-4,6-dichloropyrimidine

Base Information

• Chemical Name: 2-(1-Aziridinyl)-4,6-dichloropyrimidine
• CAS No.: 4238-91-9
• Molecular Formula: C6H5Cl2N3
• Molecular Weight: 190.03
• NSC Number: 50924
• UNII: A6P67A57RV
• DSSTox Substance ID: DTXSID80195185
• Nikkaji Number: J85.903F
• Wikidata: Q83068058
• Mol file: 4238-91-9.mol

Synonyms:Pyrimidine, 2-aziridino-4,6-dichloro-;2-Aziridino-4,6-dichloropyrimidine;4,6-Dichloro-2-ethyleneiminopyrimidine;4238-91-9;Pyrimidine, 2-(1-aziridinyl)-4,6-dichloro-;2-(1-AZIRIDINYL)-4,6-DICHLOROPYRIMIDINE;A6P67A57RV;NSC-50924;NSC 50924;BRN 0145035;2-(aziridin-1-yl)-4,6-dichloropyrimidine;NSC50924;UNII-A6P67A57RV;5-25-10-00088 (Beilstein Handbook Reference);DTXSID80195185

Chemical Property of 2-(1-Aziridinyl)-4,6-dichloropyrimidine

Chemical Property:

• Vapor Pressure: 0.000138mmHg at 25°C
• Boiling Point: 333.3°C at 760 mmHg
• Flash Point: 155.4°C
• Density: 1.599g/cm³
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 188.9860526
• Heavy Atom Count: 11
• Complexity: 141

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN1C2=NC(=CC(=N2)Cl)Cl

Technology Process of 2-(1-Aziridinyl)-4,6-dichloropyrimidine

There total 3 articles about 2-(1-Aziridinyl)-4,6-dichloropyrimidine 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:

ethyleneimine (151-56-4,9002-98-6) + 2,4,6-trichloropyrimidine (3764-01-0) → 4,6-Dichlor-2-aziridinyl-(1)-pyrimidin (4238-91-9) + 4-aziridin-1-yl-2,6-dichloro-pyrimidine (64414-80-8)

Guidance literature:

With sodium carbonate;

DOI:10.1093/qjmed/93.9.639

Reference yield:

2,4,6-trichloropyrimidine (3764-01-0) + azirene (157-17-5) → 4,6-Dichlor-2-aziridinyl-(1)-pyrimidin (4238-91-9) + 4-aziridin-1-yl-2,6-dichloro-pyrimidine (64414-80-8)

Guidance literature:

With sodium carbonate;

DOI:10.1093/qjmed/93.9.639

Reference yield:

→ 4,6-Dichlor-2-aziridinyl-(1)-pyrimidin (4238-91-9)

Guidance literature:

4,6-Dichlor-2-methylsulfon-pyrimidin, Aethylenimin ;

DOI:10.1021/jo01065a047

upstream raw materials:

ethyleneimine

2,4,6-trichloropyrimidine

azirene

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