6-Amino-1-(4-chlorobenzyl)-5-nitroso-uracil

Base Information

• Chemical Name: 6-Amino-1-(4-chlorobenzyl)-5-nitroso-uracil
• CAS No.: 179486-48-7
• Molecular Formula: C₁₁H₉ClN₄O₃
• Molecular Weight: 280.67
• DSSTox Substance ID: DTXSID401150834
• Mol file: 179486-48-7.mol

Synonyms:6-Amino-1-(4-chlorobenzyl)-5-nitroso-uracil;SCHEMBL7674391;LDLUHBOZTXMJTO-UHFFFAOYSA-N;DTXSID401150834;179486-48-7;6-Amino-1-[(4-chlorophenyl)methyl]-5-nitroso-2,4(1H,3H)-pyrimidinedione

Chemical Property of 6-Amino-1-(4-chlorobenzyl)-5-nitroso-uracil

Chemical Property:

• XLogP3: 1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 280.0363179
• Heavy Atom Count: 19
• Complexity: 443

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC=C1CN2C(=C(C(=O)NC2=O)N=O)N)Cl

Technology Process of 6-Amino-1-(4-chlorobenzyl)-5-nitroso-uracil

There total 4 articles about 6-Amino-1-(4-chlorobenzyl)-5-nitroso-uracil 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:

6-amino-1-(4-chlorobenzyl)-uracil (179486-47-6) → 6-amino-1-(4-chlorobenzyl)-5-nitroso-uracil (179486-48-7)

Guidance literature:

With sodium nitrite; In acetic acid;

Reference yield:

4-chlorobenzylamine (104-86-9) → 6-amino-1-(4-chlorobenzyl)-5-nitroso-uracil (179486-48-7)

Guidance literature:

Multi-step reaction with 4 steps

1: hydrogenchloride / water; ethanol / 20 °C

2: acetic anhydride / 0 - 60 °C

3: sodium hydroxide / water; ethyl [2]alcohol / 1 h / 85 °C

4: sodium nitrite; hydrogenchloride / water; N,N-dimethyl-formamide / 0.17 h / 70 °C

With hydrogenchloride; sodium hydroxide; sodium nitrite; In ethanol; ethyl [2]alcohol; water; acetic anhydride; N,N-dimethyl-formamide;

DOI:10.1021/acs.jmedchem.5b01708

Reference yield:

N-(4-chlorobenzyl)urea (65608-74-4) → 6-amino-1-(4-chlorobenzyl)-5-nitroso-uracil (179486-48-7)

Guidance literature:

Multi-step reaction with 3 steps

1: acetic anhydride / 0 - 60 °C

2: sodium hydroxide / water; ethyl [2]alcohol / 1 h / 85 °C

3: sodium nitrite; hydrogenchloride / water; N,N-dimethyl-formamide / 0.17 h / 70 °C

With hydrogenchloride; sodium hydroxide; sodium nitrite; In ethyl [2]alcohol; water; acetic anhydride; N,N-dimethyl-formamide;

DOI:10.1021/acs.jmedchem.5b01708

upstream raw materials:

6-amino-1-(4-chlorobenzyl)-uracil

4-chlorobenzylamine

N-(4-chlorobenzyl)urea

1-(4-chlorobenzyl)-3-cyanoacetyl-urea

Downstream raw materials:

6-Amino-1-(4-chlorobenzyl)-5-formylamino-uracil