Dihydro-6-imino-1,3-dimethyluracil

Base Information

• Chemical Name: Dihydro-6-imino-1,3-dimethyluracil
• CAS No.: 17743-04-3
• Molecular Formula: C6H9 N3 O2
• Molecular Weight: 155.156
• Hs Code.: 2933599090
• European Community (EC) Number: 241-736-4
• DSSTox Substance ID: DTXSID50863920
• Nikkaji Number: J287.142D
• Mol file: 17743-04-3.mol

Synonyms:Dihydro-6-imino-1,3-dimethyluracil;17743-04-3;6-imino-1,3-dimethyl-1,3-diazinane-2,4-dione;EINECS 241-736-4;SCHEMBL3296583;DTXSID50863920;5,6-Dihydro-6-imino-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione

Chemical Property of Dihydro-6-imino-1,3-dimethyluracil

Chemical Property:

• Vapor Pressure: 0.26mmHg at 25°C
• Boiling Point: 204.7°Cat760mmHg
• Flash Point: 77.6°C
• PSA: 64.47000
• Density: 1.38g/cm³
• LogP: -0.14690
• XLogP3: -0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 155.069476538
• Heavy Atom Count: 11
• Complexity: 236

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C(=N)CC(=O)N(C1=O)C

Technology Process of Dihydro-6-imino-1,3-dimethyluracil

There total 3 articles about Dihydro-6-imino-1,3-dimethyluracil 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: 50.0%

N,N'-Dimethylurea (96-31-1) + cyanoacetic acid (372-09-8) → 1,3-dimethyl-6-iminouracil (17743-04-3)

Guidance literature:

With acetic anhydride; at 60 ℃;

Reference yield:

1-(2-cyanoacetyl)-1,3-dimethyl-urea (39615-79-7) → 1,3-dimethyl-6-iminouracil (17743-04-3)

Guidance literature:

With acetic acid; sodium hydroxide; In water; at 40 - 92 ℃; for 0.5h; under 712.571 Torr; pH=9.5; Temperature; pH-value;

Reference yield:

→ 1,3-dimethyl-6-iminouracil (17743-04-3)

Guidance literature:

Cyanessigsaeure 1. Dimethylharnstoff, in Essigsaeureanhydrid 2. NaOH, Cyclisierung, (Methode D);

upstream raw materials:

N,N'-Dimethylurea

cyanoacetic acid

1-(2-cyanoacetyl)-1,3-dimethyl-urea

Downstream raw materials:

6-amino-1,3-dimethyl-5-nitroso-1H-pyrimidine-2,4-dione

3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione

1,3-dimethyl-4-imino-5-isonitrosourazine

1,3-dimethyl-4-amino-5-(formylamino)uracil

Refernces

• 1、 -. "Preparation method of theophylline sodium salt". Paragraph 0041; 0043; 0050-0051; 0053; 0065; 0067. . Retrieved 2020/09/08.