2-Benzyloxy-1,3-propanediol

Base Information

• Chemical Name: 2-Benzyloxy-1,3-propanediol
• CAS No.: 14690-00-7
• Molecular Formula: C10H14 O3
• Molecular Weight: 182.219
• Hs Code.: 2909499000
• DSSTox Substance ID: DTXSID80163541
• Nikkaji Number: J1.144.333H
• Wikidata: Q72442521
• Mol file: 14690-00-7.mol

Synonyms:2-Benzyloxy-1,3-propanediol;14690-00-7;2-(Benzyloxy)propane-1,3-diol;2-O-Benzylglycerol;2-phenylmethoxypropane-1,3-diol;1,3-Propanediol, 2-(phenylmethoxy)-;2-(Phenylmethoxy)-1,3-propanediol;2-(Benzyloxy)-1,3-propanediol;2-benzylglycerin;1,3-Propanediol, 2-(benzyloxy)-;BRN 1953926;4-06-00-02247 (Beilstein Handbook Reference);Glycerol 2-benzyl ether;1,3-Propanediol,2-(phenylmethoxy)-;2benzyloxy-1,3-propanediol;SCHEMBL227684;2-benzyloxy-1,3-propane-diol;2-benzyloxy-propane-1,3-diol;UDIPIOHLDFSMLR-UHFFFAOYSA-;DTXSID80163541;2-(phenylmethoxy)propane-1,3-diol;MFCD00075493;2-Benzyloxy-1,3-propanediol, 99%;AKOS005067896;CS-W017107;AS-62187;LS-120163;B2271;FT-0663008;T70300;A884479;J-008281

Chemical Property of 2-Benzyloxy-1,3-propanediol

Chemical Property:

• Vapor Pressure: 8.61E-05mmHg at 25°C
• Melting Point: 38-40 °C(lit.)
• Refractive Index: 1.4880 (estimate)
• Boiling Point: 185-187 °C10 mm Hg(lit.)
• PKA: 13.91±0.10(Predicted)
• Flash Point: 162.3°C
• PSA: 49.69000
• Density: 1.16g/cm³
• LogP: 0.55640
• Storage Temp.: 2-8°C
• Solubility.: Chloroform (Sparingly), Methanol (Slightly)
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 182.094294304
• Heavy Atom Count: 13
• Complexity: 117

Purity/Quality:

97% ^*data from raw suppliers

2-Benzyloxy-1,3-propanediol ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C(C=C1)COC(CO)CO
• Uses: 2-BENZYLOXY-1,3-PROPANEDIOL is a gylcerol derivative used in the preparation of glycerides and their phosphonate analogs as potent inhibitors of lipase.

Technology Process of 2-Benzyloxy-1,3-propanediol

There total 30 articles about 2-Benzyloxy-1,3-propanediol 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%

5-benzyloxy-2-phenyl-1,3-dioxane (68728-34-7) → 2-O-benzylglycerol (14690-00-7)

Guidance literature:

With hydrogenchloride; In methanol; for 1h; Heating;

DOI:10.1021/ja058806s

Reference yield: 93.8%

5-(benzyloxy)-2,2-dimetheyl-1,3-dioxane → 2-O-benzylglycerol (14690-00-7)

Guidance literature:

With DOWEX 50W-X₈; In methanol; at 20 ℃; for 2h;

Reference yield: 92.0%

(((2-(benzyloxy)propane-1,3-diyl)bis(oxy))bis(methanetetrayl))hexabenzene (114838-37-8) → 2-O-benzylglycerol (14690-00-7)

Guidance literature:

With sulfuric acid; In 1,4-dioxane; for 3h; Heating;

DOI:10.1016/j.tet.2008.08.010

upstream raw materials:

1,3-di-O-acetyl-2-O-benzylglycerol

(2S,5R)-5-(benzyloxy)-2-phenyl-1,3-dioxane

5-benzyloxy-2-phenyl-1,3-dioxane

benzyl chloride

Downstream raw materials:

1,3-di-O-acetyl-2-O-benzylglycerol

2-benzyloxy-3-hexadecyloxy-1-propanol

α--β-benzyl-glycerin

α,γ-Bis--β-benzyl-glycerin