2,2-diethoxyethyl Benzoate

Base Information

• Chemical Name: 2,2-diethoxyethyl Benzoate
• CAS No.: 64904-47-8
• Molecular Formula: C9H8 O3
• Molecular Weight: 164.161
• Hs Code.: 2916310090
• DSSTox Substance ID: DTXSID50473583
• Nikkaji Number: J2.066.568H
• Wikidata: Q72440354
• Mol file: 64904-47-8.mol

Synonyms:2,2-diethoxyethyl Benzoate;64904-47-8;BENZOYLOXY ACETALDEHYDE DIETHYL ACETAL;101268-52-4;2,2-DIETHOXYETHYLBENZOATE;SCHEMBL714676;DTXSID50473583;QFKKHAZEIWDXRZ-UHFFFAOYSA-N;AKOS015889985;2-benzoyloxyacetaldehyde Diethyl Acetal;2-(benzoyloxy)acetaldehyde diethyl acetal;FT-0659079;2,2-diethoxyethyl benzoate;2-Oxoethyl benzoate;A834917

Chemical Property of 2,2-diethoxyethyl Benzoate

Chemical Property:

• PSA: 44.76000
• LogP: 2.24250
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 238.12050905
• Heavy Atom Count: 17
• Complexity: 206

Purity/Quality:

97% ^*data from raw suppliers

2-Oxoethylbenzoate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(COC(=O)C1=CC=CC=C1)OCC

Technology Process of 2,2-diethoxyethyl Benzoate

There total 28 articles about 2,2-diethoxyethyl 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: 97.0%

(benzoyloxy)acetaldehyde diethyl acetal (101268-52-4) → 2-benzoyloxyacetaldehyde (64904-47-8)

Guidance literature:

With formic acid; water; at 20 ℃; for 4h;

DOI:10.1016/j.tet.2017.09.005

Reference yield: 92.0%

vinyl benzoate (583-04-0) → 2-benzoyloxyacetaldehyde (64904-47-8)

Guidance literature:

With sodium periodate; osmium(VIII) oxide; In diethyl ether; water; at 25 ℃;

DOI:10.1016/S0957-4166(99)00390-0

Reference yield: 91.0%

2,3-dihydroxypropyl benzoate (3376-59-8) → 2-benzoyloxyacetaldehyde (64904-47-8)

Guidance literature:

With sodium periodate; In 1,4-dioxane; water; at 20 ℃; for 3h;

upstream raw materials:

anti-2,3-dihydroxybutane-1,4-diyl dibenzoate

O¹,O⁶-dibenzoyl-galactitol

vinyl benzoate

2,3-dihydroxypropyl benzoate

Downstream raw materials:

benzoyloxyacetic acid

benzoyloxy-acetaldehyde-semicarbazone

benzoyloxy-acetaldehyde-(2,4-dinitro-phenylhydrazone)

Benzoic acid (1R,5S,6R)-1-methyl-2,7-dioxa-bicyclo[3.2.0]hept-3-en-6-ylmethyl ester