Desyl benzoate

Base Information

• Chemical Name: Desyl benzoate
• CAS No.: 1459-20-7
• Molecular Formula: C21H16 O3
• Molecular Weight: 316.356
• Hs Code.: 2916310090
• European Community (EC) Number: 667-504-6
• NSC Number: 60084
• Nikkaji Number: J281.955D
• ChEMBL ID: CHEMBL3601172
• Mol file: 1459-20-7.mol

Synonyms:Desyl benzoate;1459-20-7;benzoin benzoate;2-Oxo-1,2-diphenylethyl benzoate;(2-oxo-1,2-diphenylethyl) benzoate;CHEMBL3601172;Ethanone, 2-(benzoyloxy)-1,2-diphenyl-;DL-BENZOIN BENZOATE;NCIOpen2_007901;Oprea1_078052;SCHEMBL343011;NSC60084;BDBM50107322;NSC-60084;2-Oxo-1,2-diphenylethyl benzoate #;AKOS002910672;CS-0446889;FT-0624528

Chemical Property of Desyl benzoate

Chemical Property:

• Vapor Pressure: 4.3E-10mmHg at 25°C
• Boiling Point: 499°Cat760mmHg
• Flash Point: 220.5°C
• PSA: 43.37000
• Density: 1.195g/cm³
• LogP: 4.46760
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 316.109944368
• Heavy Atom Count: 24
• Complexity: 413

Purity/Quality:

98.5% ^*data from raw suppliers

BenzoinBenzoate ^*data from reagent suppliers

Safty Information:

• Safety Statements: S22:Do not inhale dust.; S24/25:Avoid contact with skin and eyes.

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(C(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3

Technology Process of Desyl benzoate

There total 73 articles about Desyl 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: 95.0%

benzaldehyde (100-52-7) + benzil (134-81-6) → 1,2-diphenyl-2-oxoethyl benzoate (1459-20-7)

Guidance literature:

With tetra-n-butylammonium cyanide; In tetrahydrofuran; for 2h; Ambient temperature;

DOI:10.1246/cl.1997.697

Reference yield: 94.0%

2-hydroxy-2-phenylacetophenone (119-53-9,579-44-2) + benzoyl chloride (98-88-4) → 1,2-diphenyl-2-oxoethyl benzoate (1459-20-7)

Guidance literature:

With pyridine; In dichloromethane; Ambient temperature;

DOI:10.1016/S0040-4020(01)89848-3

Reference yield: 91.0%

benzaldehyde (100-52-7) → 1,2-diphenyl-2-oxoethyl benzoate (1459-20-7) + 2-hydroxy-2-phenylacetophenone (119-53-9,579-44-2)

Guidance literature:

With C₄₃H₄₈N₆⁽²⁺⁾*2Br^(1-); potassium tert-butylate; In toluene; at 20 ℃; for 20h; Reagent/catalyst; Solvent; Catalytic behavior; Inert atmosphere; Schlenk technique;

DOI:10.1007/s12039-015-0837-7

upstream raw materials:

ethanol

1-cyanobenzyl benzoate

sodium ethanolate

4-methoxy-6-methyl-5,6,7,8-tetrahydro-1,3-dioxolo[4,5-g]isoquinolin-5-ol

Downstream raw materials:

2,4,5-triphenyloxazole

lophine

phenyl benzyl ketone

benzil

Refernces

• 1、 Miyashita, Akira,Numata, Atsushi,Suzuki, Yumiko,Iwamoto, Ken-Ichi,Higashino, Takeo. "Olefin-insertion reaction between the carbonyls of benzils; formation of 1,4-diketones by Michael Additon catalyzed by Cyanide Ion". . p. 697 - 698. Retrieved 1997.
• 2、 Jafarpour, Farnaz,Azizzade, Meysam,Golpazir-Sorkheh, Yekta,Navid, Hamed,Rajai-Daryasarei, Saideh. "Divergent Synthesis of α-Aroyloxy Ketones and Indenones: A Controlled Domino Radical Reaction for Di- A nd Trifunctionalization of Alkynes". . p. 8287 - 8294. Retrieved 2020/07/15.
• 3、 Pandolfi, Fabiana,Chiarotto, Isabella,Rocco, Daniele,Feroci, Marta. "Electrogenerated superoxide anion induced oxidative amidation of benzoin". . p. 358 - 367. Retrieved 2017/10/06.