1,3-Diallyl-6-aminouracil monohydrate

Base Information

• Chemical Name: 1,3-Diallyl-6-aminouracil monohydrate
• CAS No.: 4852-19-1
• Molecular Formula: C10H13 N3 O2
• Molecular Weight: 207.232
• European Community (EC) Number: 225-444-4
• DSSTox Substance ID: DTXSID60964078
• Nikkaji Number: J236.622C
• Wikidata: Q82945994
• Mol file: 4852-19-1.mol

Synonyms:1,3-Diallyl-6-aminouracil;1,3-Diallyl-6-aminouracil monohydrate;4852-19-1;EINECS 225-444-4;SCHEMBL476495;DTXSID60964078;1,3-Diallyl-6-amino-2,4(1H,3H)-pyrimidinedione #;2,4(1H,3H)-Pyrimidinedione, 6-amino-1,3-di-2-propenyl-;6-Amino-1,3-di(prop-2-en-1-yl)pyrimidine-2,4(1H,3H)-dione

Chemical Property of 1,3-Diallyl-6-aminouracil monohydrate

Chemical Property:

• Vapor Pressure: 0.000661mmHg at 25°C
• Boiling Point: 308.9°C at 760 mmHg
• Flash Point: 140.6°C
• PSA: 79.25000
• Density: 1.159g/cm³
• LogP: 0.48110
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 207.100776666
• Heavy Atom Count: 15
• Complexity: 347

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CCN1C(=CC(=O)N(C1=O)CC=C)N

Technology Process of 1,3-Diallyl-6-aminouracil monohydrate

There total 1 articles about 1,3-Diallyl-6-aminouracil monohydrate 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:

→ 1,3-diallyl-6-aminouracil (4852-19-1)

Guidance literature:

/BRN= 190016/;

Reference yield:

1,3-diallyl-6-aminouracil (4852-19-1) → 1,3-diallyl-5,6-diaminouracil (102284-74-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 81 percent / NaNO₂, HCl / acetic acid; methanol; H₂O / 0.25 h

2: 70 percent / aq. 50percent NH₄OH, Na₂S₂O₄ / H₂O

With hydrogenchloride; ammonium hydroxide; sodium dithionite; sodium nitrite; In methanol; water; acetic acid;

DOI:10.1021/jm00157a035

Reference yield:

1,3-diallyl-6-aminouracil (4852-19-1) → 3,7-dihydro-8-(1-phenylethyl)-1,3-di-2-propenyl-1H-purine-2,6-dione

Guidance literature:

Multi-step reaction with 3 steps

1: hydrogenchloride; acetic acid / water

2: methanol; chloroform; water; ethyl acetate

3: 4-methyl-morpholine; triethyloxonium fluoroborate / N-methyl-acetamide; methanol; hexane; dichloromethane; chloroform; ethyl acetate; toluene; acetonitrile; benzene

With 4-methyl-morpholine; hydrogenchloride; triethyloxonium fluoroborate; acetic acid; In N-methyl-acetamide; methanol; hexane; dichloromethane; chloroform; water; ethyl acetate; toluene; acetonitrile; benzene;

Downstream raw materials:

1,3-diallyl-5,6-diaminouracil