(1E)-N'-(5-Iodo-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-N,N-dimethylethanimidamide

Base Information

• Chemical Name: (1E)-N'-(5-Iodo-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-N,N-dimethylethanimidamide
• CAS No.: 262359-45-5
• Molecular Formula: C₁₀H₁₅IN₄O₂
• Molecular Weight: 350.159
• DSSTox Substance ID: DTXSID50444192
• Mol file: 262359-45-5.mol

Synonyms:262359-45-5;(1E)-N'-(5-Iodo-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-N,N-dimethylethanimidamide;DTXSID50444192;N'-(5-iodo-1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N,N-dimethylethanimidamide;N,N-Dimethyl-N'-(1,2,3,6-tetrahydro-5-iodo-1,3-dimethyl-2,6-dioxo-4-pyrimidinyl)ethanimidamide

Chemical Property of (1E)-N'-(5-Iodo-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-N,N-dimethylethanimidamide

Chemical Property:

• XLogP3: -0.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 350.02397
• Heavy Atom Count: 17
• Complexity: 428

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=NC1=C(C(=O)N(C(=O)N1C)C)I)N(C)C
• Isomeric SMILES: C/C(=N\C1=C(C(=O)N(C(=O)N1C)C)I)/N(C)C

Technology Process of (1E)-N'-(5-Iodo-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-N,N-dimethylethanimidamide

There total 2 articles about (1E)-N'-(5-Iodo-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-N,N-dimethylethanimidamide 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: 87.0%

6-[1-aza-2-(dimethylamino)prop-1-enyl]-1,3-dimethyluracil → 6-[1-aza-2-(dimethylamino)prop-1-enyl]-5-iodo-1,3-dimethyluracil (262359-45-5)

Guidance literature:

With N-iodo-succinimide; In dichloromethane; for 2h; Heating;

DOI:10.1080/00397910008087296

Reference yield:

6-Amino-1,3-dimethylbarbituric acid (6642-31-5) → 6-[1-aza-2-(dimethylamino)prop-1-enyl]-5-iodo-1,3-dimethyluracil (262359-45-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 90 percent / methanol / 12 h / Heating

2: 87 percent / N-iodosuccinimide / CH₂Cl₂ / 2 h / Heating

With N-iodo-succinimide; In methanol; dichloromethane; 1: Condensation / 2: Iodination;

DOI:10.1080/00397910008087296

upstream raw materials:

6-Amino-1,3-dimethylbarbituric acid