2,3-Dihydroxypropyl benzoate

Base Information

• Chemical Name: 2,3-Dihydroxypropyl benzoate
• CAS No.: 3376-59-8
• Molecular Formula: C10H12 O4
• Molecular Weight: 196.203
• Hs Code.: 2916310090
• DSSTox Substance ID: DTXSID40872268
• Nikkaji Number: J416.107F
• Mol file: 3376-59-8.mol

Synonyms:2,3-dihydroxypropyl benzoate;3376-59-8;1-Monobenzoylglycerol;2,3-dihydroxypropylbenzoate;glycerol benzoate;1-benzoyl glycerol;(-)-1-benzoyl glycerol;SCHEMBL3391;DTXSID40872268;SFCPXHKCMRZQAC-UHFFFAOYSA-N;MFCD01084321;AKOS024464626;DS-7788;CS-0156546;C74734

Chemical Property of 2,3-Dihydroxypropyl benzoate

Chemical Property:

• Vapor Pressure: 2.42E-06mmHg at 25°C
• Boiling Point: 376.6°Cat760mmHg
• Flash Point: 151.2°C
• PSA: 66.76000
• Density: 1.259g/cm³
• LogP: 0.19660
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 196.07355886
• Heavy Atom Count: 14
• Complexity: 175

Purity/Quality:

99%, ^*data from raw suppliers

2,3-Dihydroxypropylbenzoate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)OCC(CO)O

Technology Process of 2,3-Dihydroxypropyl benzoate

There total 35 articles about 2,3-Dihydroxypropyl benzoate 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: 98.7%

4-benzoyloxymethyl-2,2-dimethyl-[1,3]dioxolane (98760-27-1) → 2,3-dihydroxypropyl benzoate (3376-59-8)

Guidance literature:

With hydrogenchloride; In ethanol; at 20 ℃; for 18h;

Reference yield: 98.0%

1-O-benzoyl-3-O-(triphenylmethyl)glycerol (20834-13-3) → 2,3-dihydroxypropyl benzoate (3376-59-8)

Guidance literature:

With ammonium cerium(IV) nitrate; silica gel; In dichloromethane; at 25 ℃; for 0.75h;

DOI:10.1021/jo000024o

Reference yield: 97.5%

glycerol (56-81-5,25618-55-7,64333-26-2,8013-25-0) + benzoic acid (65-85-0,8013-63-6) → 2,3-dihydroxypropyl benzoate (3376-59-8)

Guidance literature:

With methanesulfonic acid; In toluene; at 120 ℃; for 2.5h; Large scale;

upstream raw materials:

(2-phenyl-1,3-dioxolan-4-yl)methyl benzoate

sodium 2,3-dihydroxypropoxide

benzoyl chloride

benzene

Downstream raw materials:

4-benzoyloximethyl-[1,3]dioxolane

glycerol

[3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl] benzoate

2-benzoyloxymethyl-5-acethoxy-1,3-oxathiolane

Refernces

• 1、 -. "HETEROCYCLIC COMPOUNDS FOR THE CONTROL OF INVERTEBRATE PESTS". Page/Page column 29; 33; 40. . Retrieved 2021/11/20.
• 2、 -. "Industrial preparation method of 2,2-dimethyl-4-hydroxymethyl-1,3-dioxolane". Paragraph 0044. . Retrieved 2019/06/13.