1-Allyloxy-2,4,6-trimethylolbenzene

Base Information

• Chemical Name: 1-Allyloxy-2,4,6-trimethylolbenzene
• CAS No.: 10580-81-1
• Molecular Formula: C₁₂H₁₆O₄
• Molecular Weight: 224.257
• European Community (EC) Number: 264-632-0
• UNII: 344IQY6Z2O
• DSSTox Substance ID: DTXSID3070040
• Nikkaji Number: J76.647J
• Wikidata: Q27256330
• Mol file: 10580-81-1.mol

Synonyms:10580-81-1;1-Allyloxy-2,4,6-trimethylolbenzene;ar-(Allyloxy)benzenetrimethanol;2,4,6-Trimethylolphenyl allyl ether;64051-40-7;344IQY6Z2O;1,3,5-Benzenetrimethanol, 2-(2-propen-1-yloxy)-;[3,5-bis(hydroxymethyl)-4-prop-2-enoxyphenyl]methanol;Benzenetrimethanol, ar-(2-propenyloxy)-;1,3,5-Benzenetrimethanol, 2-(2-propenyloxy)-;UNII-344IQY6Z2O;SCHEMBL9172675;DTXSID3070040;W-111230;alpha,alpha',alpha''-Mesitylenetriol, 2-(allyloxy)-;alpha1,alpha3,alpha5-Mesitylenetriol, 2-(allyloxy)-;Q27256330;.ALPHA.,.ALPHA.',.ALPHA.''-MESITYLENETRIOL, 2-(ALLYLOXY)-;.ALPHA.1,.ALPHA.3,.ALPHA.5-MESITYLENETRIOL, 2-(ALLYLOXY)-

Chemical Property of 1-Allyloxy-2,4,6-trimethylolbenzene

Chemical Property:

• Melting Point: 86.0-86.2 °C(Solv: ethyl acetate (141-78-6))
• Boiling Point: 427.7±40.0 °C(Predicted)
• PKA: 13.97±0.10(Predicted)
• Density: 1.225±0.06 g/cm3(Predicted)
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 224.10485899
• Heavy Atom Count: 16
• Complexity: 193

Purity/Quality:

98%,99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C=CCOC1=C(C=C(C=C1CO)CO)CO

Technology Process of 1-Allyloxy-2,4,6-trimethylolbenzene

There total 1 articles about 1-Allyloxy-2,4,6-trimethylolbenzene 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:

allyl bromide (106-95-6) → 2-allyloxy-1,3,5-tris-hydroxymethyl-benzene (10580-81-1)

Guidance literature:

With potassium carbonate; acetone;

DOI:10.1021/ja01119a052

Reference yield:

chloro-trimethyl-silane (75-77-4) + 2-allyloxy-1,3,5-tris-hydroxymethyl-benzene (10580-81-1) → 2-allyloxy-1,3,5-tris-(trimethylsilanyloxy-methyl)-benzene (18748-78-2)

Guidance literature:

With pyridine;

DOI:10.1021/ja01119a052

upstream raw materials:

allyl bromide

Downstream raw materials:

2-allyloxy-1,3,5-tris-(trimethylsilanyloxy-methyl)-benzene