5-Allyl-2-methyl-4,6-pyrimidinediol

Base Information

• Chemical Name: 5-Allyl-2-methyl-4,6-pyrimidinediol
• CAS No.: 85826-32-0
• Molecular Formula: C₈H₁₀N₂O₂
• Molecular Weight: 166.18
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID40517309
• Wikidata: Q82379238
• Mol file: 85826-32-0.mol

Synonyms:5-Allyl-2-methyl-4,6-pyrimidinediol;85826-32-0;5-Allyl-2-methylpyrimidine-4,6-diol;4-hydroxy-2-methyl-5-prop-2-enyl-1H-pyrimidin-6-one;2-METHYL-5-(PROP-2-EN-1-YL)PYRIMIDINE-4,6-DIOL;SCHEMBL3927911;DTXSID40517309;DYOOMVZJADHVHR-UHFFFAOYSA-N;AKOS006291110;CS-0235681;FT-0702847;EN300-1600034;6-Hydroxy-2-methyl-5-(2-propen-1-yl)-4(1H)-pyrimidinone;6-Hydroxy-2-methyl-5-(prop-2-en-1-yl)pyrimidin-4(3H)-one

Chemical Property of 5-Allyl-2-methyl-4,6-pyrimidinediol

Chemical Property:

• Vapor Pressure: 0.000186mmHg at 25°C
• Boiling Point: 319°C at 760 mmHg
• Flash Point: 146.8°C
• PSA: 66.24000
• Density: 1.245g/cm³
• LogP: 0.92470
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 166.074227566
• Heavy Atom Count: 12
• Complexity: 289

Purity/Quality:

99% ^*data from raw suppliers

2-METHYL-5-(PROP-2-EN-1-YL)PYRIMIDINE-4,6-DIOL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 5-Allyl-2-methyl-4,6-pyrimidinediol

There total 2 articles about 5-Allyl-2-methyl-4,6-pyrimidinediol 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: 78.0%

(2-propenyl)propanedioic acid diethyl ester (2049-80-1) + acetamidine hydrochloride (124-42-5) → 6-hydroxy-2-methyl-5-(2-proren-1-yl)-4(1H)-pyrimidinone (85826-32-0)

Guidance literature:

acetamidine hydrochloride; With sodium methylate; In methanol; at 20 ℃; for 1h;

(2-propenyl)propanedioic acid diethyl ester; In methanol; at 20 ℃; for 15h;

Reference yield: 72.3%

(2-propenyl)propanedioic acid diethyl ester (2049-80-1) + acetamidine hydrochloride (124-42-5) → 5-Allyl-2-methyl-4,6-dihydroxypyrimidine (85826-32-0)

Guidance literature:

With sodium methylate; In methanol; for 10h; Heating;

DOI:10.1007/BF00765165

Reference yield: 85.0%

6-hydroxy-2-methyl-5-(2-proren-1-yl)-4(1H)-pyrimidinone (85826-32-0) → 5-Allyl-2-methyl-4,6-dichloropyrimidine (85826-33-1)

Guidance literature:

With trichlorophosphate; for 4h; Heating / reflux;

upstream raw materials:

(2-propenyl)propanedioic acid diethyl ester

acetamidine hydrochloride

Downstream raw materials:

5-Allyl-2-methyl-4,6-dichloropyrimidine

5-Allyl-4-amino-2-methyl-6-chloropyrimidine

(5-Allyl-6-chloro-2-methyl-pyrimidin-4-yl)-methyl-amine

4-Amino-5-(2',3'-dibromo-1'-propyl)-2-methyl-6-chloropyrimidine