5-Allyl-6-methyluracil

Base Information

• Chemical Name: 5-Allyl-6-methyluracil
• CAS No.: 94815-68-6
• Molecular Formula: C8H10N2O2
• Molecular Weight: 166.18
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID40241632
• Nikkaji Number: J96.601K
• Wikidata: Q83125180
• ChEMBL ID: CHEMBL2131334
• Mol file: 94815-68-6.mol

Synonyms:5-Allyl-6-methyluracil;94815-68-6;Uracil, 5-allyl-6-methyl-;BRN 0005374;Oprea1_456499;MLS000714677;CHEMBL2131334;DTXSID40241632;HMS2684D20;AKOS000273608;NCGC00245070-01;SMR000274656;5-Allyl-6-methyl-1H-pyrimidine-2,4-dione

Chemical Property of 5-Allyl-6-methyluracil

Chemical Property:

• Vapor Pressure: 5.12E-07mmHg at 25°C
• Boiling Point: 401.4°Cat760mmHg
• Flash Point: 196.5°C
• PSA: 66.24000
• Density: 1.108g/cm³
• LogP: 0.92470
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 166.074227566
• Heavy Atom Count: 12
• Complexity: 279

Purity/Quality:

5-ALLYL-6-METHYLURACIL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=O)NC(=O)N1)CC=C

Technology Process of 5-Allyl-6-methyluracil

There total 4 articles about 5-Allyl-6-methyluracil 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-allil-6-methyluracil (94815-68-6)

Guidance literature:

With water; chloroacetic acid;

DOI:10.1021/ja02179a017

Reference yield:

O-methylisourea hemisulfate (29427-58-5,24285-39-0) + 2-acetyl-pent-4-enoic acid ethyl ester (610-89-9,84984-48-5) → 5-allil-6-methyluracil (94815-68-6)

Guidance literature:

With calcium hydroxide; sulfuric acid; Yield given. Multistep reaction; 1.) H₂O, EtOH, 40 deg C, 48 h, 2.) H₂O, EtOH, 70 deg C, pH=2, 24 h;

DOI:10.1016/0040-4020(84)85016-4

Reference yield:

5-allyl-6-methyl-2-methylsulfanyl-3H-pyrimidin-4-one (54069-14-6) → 5-allil-6-methyluracil (94815-68-6)

Guidance literature:

With hydrogenchloride;

upstream raw materials:

5-allyl-6-methyl-2-methylsulfanyl-3H-pyrimidin-4-one

O-methylisourea hemisulfate

2-acetyl-pent-4-enoic acid ethyl ester

5-allyl-6-methyl-2-thioxo-2,3-dihydro-1H-pyrimidin-4-one

Refernces