1,3-Bis(benzyloxy)-2-propanol

Base Information

• Chemical Name: 1,3-Bis(benzyloxy)-2-propanol
• CAS No.: 6972-79-8
• Molecular Formula: C17H20O3
• Molecular Weight: 272.344
• Hs Code.: 2909499000
• European Community (EC) Number: 614-999-1
• NSC Number: 62583
• DSSTox Substance ID: DTXSID6073990
• Nikkaji Number: J416.138F
• Wikidata: Q82002540
• ChEMBL ID: CHEMBL1881097
• Mol file: 6972-79-8.mol

Synonyms:6972-79-8;1,3-Bis(benzyloxy)-2-propanol;1,3-Dibenzyloxy-2-propanol;1,3-bis(benzyloxy)propan-2-ol;1,3-bis(phenylmethoxy)propan-2-ol;2-Propanol, 1,3-bis(phenylmethoxy)-;1,3-Di-O-benzylglycerol;MLS002693392;1,3-Benzyloxy-2-propanol;1,3-dibenzyloxypropan-2-ol;1,3-Dibenzyloxy-2-hydroxypropane;1,3-Bisbenzyloxy-propan-2-ol;NSC62583;1,3-Bis(phenylmethoxy)-2-propanol;1,3dibenzyloxy-2-propanol;1,3-di-O-benzyl glycerol;1-O,3-O-Dibenzylglycerol;NCIOpen2_002568;1,3 dibenzyloxy-2-propanol;1,3-bisbenzyloxy-2-propanol;SCHEMBL397022;CHEMBL1881097;DTXSID6073990;1,3-bis-benzyloxy-propan-2-ol;HMS3088B08;1,3-Bis(benzyloxy)-2-propanol #;1,3-Dibenzyloxy-2-propanol, 97%;MFCD00010616;NSC 62583;NSC-62583;AKOS015913038;1,3-Bis(benzyloxy)-2-propanol, 96%;s12077;AS-10260;SMR001559348;B2110;CS-0204410;FT-0606621;B-3280;EN300-216991;A847463

Chemical Property of 1,3-Bis(benzyloxy)-2-propanol

Chemical Property:

• Appearance/Colour: Pale-Yellow Oil
• Vapor Pressure: 1.42E-07mmHg at 25°C
• Refractive Index: n20/D 1.549(lit.)
• Boiling Point: 413.3 °C at 760 mmHg
• PKA: 13.62±0.20(Predicted)
• Flash Point: 207.4 °C
• PSA: 38.69000
• Density: 1.12 g/cm³
• LogP: 2.78090
• Storage Temp.: Refrigerator
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 8
• Exact Mass: 272.14124450
• Heavy Atom Count: 20
• Complexity: 208

Purity/Quality:

99% ^*data from raw suppliers

1,3-Dibenzyloxy-2-propanol ^*data from reagent suppliers

Safty Information:

• Safety Statements: 23-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C(C=C1)COCC(COCC2=CC=CC=C2)O
• Uses: 1,3-Dibenzyloxy-2-propanol was used in the synthesis of 1,3-dibenzyloxyacetone. It was also used as precursor to antiviral intermediates. Having spasmolytic and cholinolytic activity

Technology Process of 1,3-Bis(benzyloxy)-2-propanol

There total 39 articles about 1,3-Bis(benzyloxy)-2-propanol 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: 100.0%

2-benzyloxy-1-benzyloxymethyl-ethyl hydroperoxide → dibenzyl glycerol (6972-79-8)

Guidance literature:

With sodium thiosulfate; In methanol; at 25 ℃; for 1h;

DOI:10.1248/cpb.51.346

Reference yield: 99.0%

4-Benzyloxymethyl-2-phenyl-[1,3]dioxolane (51164-00-2) → dibenzyl glycerol (6972-79-8)

Guidance literature:

With tri-n-butyl-tin hydride; magnesium bromide; In dichloromethane; at 20 ℃; for 0.166667h;

DOI:10.1016/S0040-4039(00)01017-0

Reference yield: 96.0%

1,3-Dichloro-2-propanol (96-23-1) + benzyl alcohol (100-51-6,185532-71-2) → dibenzyl glycerol (6972-79-8)

Guidance literature:

With sodium hydride; at 100 ℃;

DOI:10.1139/v84-039

upstream raw materials:

1,3-Dichloro-2-propanol

benzyl chloride

glycerol

epichlorohydrin

Downstream raw materials:

1,3-dibenzyloxy-2-propanone

1,3-Dibenzyloxy-2-(4-phenylazo-benzoyloxy)-propan

1,3-dibenzyloxy-2-(chloromethoxy)propane

1,3-dibenzyloxy-2-methylthiomethoxypropane

Refernces

• 1、 Wang, Huan,Vu, Nam Duc,Chen, Guo-Rong,Métay, Estelle,Duguet, Nicolas,Lemaire, Marc. "Selective catalytic oxidation of diglycerol". supporting information. p. 1154 - 1159. Retrieved 2021/02/26.
• 2、 Derudas, Marco,Vanpouille, Christophe,Carta, Davide,Zicari, Sonia,Andrei, Graciela,Snoeck, Robert,Brancale, Andrea,Margolis, Leonid,Balzarini, Jan,McGuigan, Christopher. "Virtual Screening of Acyclovir Derivatives as Potential Antiviral Agents: Design, Synthesis, and Biological Evaluation of New Acyclic Nucleoside ProTides". . p. 7876 - 7896. Retrieved 2017/10/06.