2,2-Dibenzylpropane-1,3-diol

Base Information

• Chemical Name: 2,2-Dibenzylpropane-1,3-diol
• CAS No.: 31952-16-6
• Molecular Formula: C17H20 O2
• Molecular Weight: 256.345
• Hs Code.: 2906299090
• European Community (EC) Number: 625-818-0
• DSSTox Substance ID: DTXSID50454377
• Nikkaji Number: J1.667.829E
• Wikidata: Q82275869
• Mol file: 31952-16-6.mol

Synonyms:2,2-dibenzylpropane-1,3-diol;31952-16-6;2,2-Dibenzyl-1,3-propanediol;2,2-Bis(phenylmethyl)-1,3,propanediol;2,2-dibenzyl-1,3-propandiol;SCHEMBL2489390;DTXSID50454377;AZLRECYOMFCGTK-UHFFFAOYSA-N;MFCD01112173;AKOS016034716;BS-16500;2,2-Dibenzyl-1,3-propanediol, >=97.0%;CS-0137260;A875756;J-018575

Chemical Property of 2,2-Dibenzylpropane-1,3-diol

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 84-88 °C
• Refractive Index: 1.594
• Boiling Point: 442.129°C at 760 mmHg
• PKA: 14.45±0.10(Predicted)
• Flash Point: 208.804°C
• PSA: 40.46000
• Density: 1.127g/cm³
• LogP: 2.44280
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 256.146329876
• Heavy Atom Count: 19
• Complexity: 214

Purity/Quality:

97% ^*data from raw suppliers

2,2-Dibenzyl-1,3-propanediol ≥97.0% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CC(CC2=CC=CC=C2)(CO)CO

Technology Process of 2,2-Dibenzylpropane-1,3-diol

There total 8 articles about 2,2-Dibenzylpropane-1,3-diol 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: 95.0%

dibenzylmalonic acid diethyl ester (597-55-7) → 2,2-dibenzyl-1,3-propanediol (31952-16-6)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether; for 2h; Ambient temperature;

Reference yield: 75.7%

→ 2,2-dibenzyl-1,3-propanediol (31952-16-6)

Guidance literature:

Reference yield:

Dimethyl 2,2-dibenzylmalonate (72013-65-1) → 2,2-dibenzyl-1,3-propanediol (31952-16-6)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether; Ambient temperature;

DOI:10.1021/jo00084a037

upstream raw materials:

dibenzylmalonic acid diethyl ester

Dimethyl 2,2-dibenzylmalonate

benzyl chloride

benzyl bromide

Downstream raw materials:

3,3-dibenzyl-3,4-dihydro-2H-thienopheno[3,4-b][1,4]dioxepine

2,2-dibenzyl-1,3-diiodopropane

2,2-dibenzyl-1,3-dibromopropane

3,3-dibenzyl-3,4-dihydro-2H-selenopheno[3,4-b][1,4]dioxepine