Dopan

Base Information

• Chemical Name: Dopan
• CAS No.: 520-09-2
• Molecular Formula: C₉H₁₃Cl₂N₃O₂
• Molecular Weight: 266.127
• NSC Number: 44629
• UNII: 1LY7UH1WUT
• DSSTox Substance ID: DTXSID50199958
• Nikkaji Number: J11.361A
• Wikidata: Q27252592
• Mol file: 520-09-2.mol

Synonyms:4-methyl-5-(bis(beta-chloroethyl)amino)uracil;6-methyluracil mustard;chloroethylaminouracil;dopan

Chemical Property of Dopan

Chemical Property:

• Refractive Index: 1.6100 (estimate)
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 68.96000
• Density: 1.39g/cm³
• LogP: 0.65560
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 265.0384821
• Heavy Atom Count: 16
• Complexity: 325

Purity/Quality:

98%min ^*data from raw suppliers

5-(Bis(2-chloroethyl)amino)-6-methylpyrimidine-2,4(1H,3H)-dione 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=C(C(=O)NC(=O)N1)N(CCCl)CCCl
• Uses: In anticancer research: Louis, J. Chronic Dis. 15, 273-281 (March 1962).

Technology Process of Dopan

There total 4 articles about Dopan 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:

5-[bis-(2-hydroxy-ethyl)-amino]-6-methyl-1H-pyrimidine-2,4-dione (31492-83-8) → Chloraethylaminouracil (520-09-2,96980-43-7)

Guidance literature:

With thionyl chloride;

Reference yield:

5-amino-6-methyluracil (6270-46-8) → Chloraethylaminouracil (520-09-2,96980-43-7)

Guidance literature:

Multi-step reaction with 2 steps

1: acetic acid

2: SOCl₂

With thionyl chloride; acetic acid;

Reference yield:

→ Chloraethylaminouracil (520-09-2,96980-43-7)

Guidance literature:

Bishydroxyaethylverb. 5, SOCl2;

upstream raw materials:

5-[bis-(2-hydroxy-ethyl)-amino]-6-methyl-1H-pyrimidine-2,4-dione

5-amino-6-methyluracil