Ethyl benzilate

Base Information

• Chemical Name: Ethyl benzilate
• CAS No.: 52182-15-7
• Molecular Formula: C16H16 O3
• Molecular Weight: 256.301
• Hs Code.: 2918199090
• European Community (EC) Number: 257-713-7
• NSC Number: 62707
• UNII: 7CFR9ZJ7RE
• DSSTox Substance ID: DTXSID10200211
• Nikkaji Number: J34.381A
• Wikidata: Q83073269
• Mol file: 52182-15-7.mol

Synonyms:Ethyl benzilate;52182-15-7;Benzilic Acid Ethyl Ester;ethyl 2-hydroxy-2,2-diphenylacetate;Ethyl diphenylglycolate;Ethyl benzillate;EINECS 257-713-7;NSC-62707;Benzeneacetic acid, .alpha.-hydroxy-.alpha.-phenyl-, ethyl ester;ethylbenzilate;Benzilsaureethylester;7CFR9ZJ7RE;Benzilic acid, ethyl ester;SCHEMBL2763579;Ethyl hydroxy(diphenyl)acetate #;Diphenylglycolic Acid Ethyl Ester;DTXSID10200211;NSC62707;MFCD00016850;NSC 62707;AKOS024287625;AS-62244;CS-0314004;E0747;FT-0622674;D90561;Benzeneacetic acid, alpha-hydroxy-alpha-phenyl-, ethyl ester

Chemical Property of Ethyl benzilate

Chemical Property:

• Vapor Pressure: 4.55E-05mmHg at 25°C
• Melting Point: 29°C
• Refractive Index: 1.5600
• Boiling Point: 336 °C at 760 mmHg
• Flash Point: 117.1 °C
• PSA: 46.53000
• Density: 1,562 g/cm³
• LogP: 2.48560
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 256.109944368
• Heavy Atom Count: 19
• Complexity: 270

Purity/Quality:

98% ^*data from raw suppliers

Ethyl Benzilate ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)O

Technology Process of Ethyl benzilate

There total 21 articles about Ethyl benzilate 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: 94.0%

phenylglyoxylic acid ethyl ester (1603-79-8) + phenylboronic acid (98-80-6) → ethyl benzilate (52182-15-7)

Guidance literature:

With potassium phosphate; ferrocenyl-containing palladacycle; In toluene; at 20 ℃;

DOI:10.1021/ol062814b

Reference yield: 84.0%

benzophenone (119-61-9) + ethyl bromoacetate (105-36-2) → ethyl benzilate (52182-15-7)

Guidance literature:

With zinc; In benzene;

DOI:10.1039/c0ob00683a

Reference yield: 78.0%

(2,3-Dimethyl-benzo[g]indol-1-yl)-oxo-acetic acid ethyl ester (114570-16-0) + phenylmagnesium bromide → phenylglyoxylic acid ethyl ester (1603-79-8) + 2,3-dimethylbenz<6,7>indole (36729-21-2) + α-phenylbenzoin (4237-46-1) + benzil (134-81-6) + ethyl benzilate (52182-15-7)

Guidance literature:

In acetone; Product distribution;

DOI:10.1007/BF00475361

upstream raw materials:

phenylglyoxylic acid ethyl ester

diethyl ether

Ethyl oxalyl chloride

ethanol

Downstream raw materials:

N-methyl-4-piperidyl benzilate

benzilic acid-(2-piperidino-ethyl ester)

hydroxy-diphenyl-acetic acid 2-morpholin-4-yl-ethyl ester

3,5,5-triphenyl-oxazolidine-2,4-dione