Benzoin acetate

Base Information

• Chemical Name: Benzoin acetate
• CAS No.: 574-06-1
• Deprecated CAS: 62398-10-1
• Molecular Formula: C₁₆H₁₄O₃
• Molecular Weight: 254.285
• NSC Number: 8088
• UNII: 8KD59RC90V
• DSSTox Substance ID: DTXSID7024580
• Nikkaji Number: J70.965D
• Wikidata: Q27894613
• ChEMBL ID: CHEMBL1597449
• Mol file: 574-06-1.mol

Synonyms:Benzoin acetate;574-06-1;2-Oxo-1,2-diphenylethyl acetate;O-Acetylbenzoin;Benzoin, acetate;Ethanone, 2-(acetyloxy)-1,2-diphenyl-;(2-oxo-1,2-diphenylethyl) acetate;ALPHA-ACETOXY-DEOXYBENZOIN;NSC 8088;8KD59RC90V;DTXSID7024580;acetic acid (2-oxo-1,2-diphenylethyl) ester;NSC-8088;alpha -Acetoxydeoxybenzoin;alpha-Phenylphenacyl acetate;TimTec1_004046;UNII-8KD59RC90V;Oprea1_137821;Oprea1_258780;MLS002454386;SCHEMBL337104;DTXCID804580;CHEMBL1597449;(+/-)-BENZOIN ACETATE;NSC8088;HMS1545H20;BENZOIN ACETATE, (+/-)-;BENZOYL(PHENYL)METHYL ACETATE;Tox21_201080;2-Oxo-1,2-diphenylethyl acetate #;BBL001181;MFCD00053705;STK368703;AKOS000520787;LS-1399;1,2-DIPHENYL-2-OXOETHYL ACETATE;NCGC00091336-01;NCGC00091336-02;NCGC00258633-01;CAS-574-06-1;SMR000283113;VS-00838;2-(ACETYLOXY)-1,2-DIPHENYLETHANONE;CS-0326951;FT-0655682;(2-oxidanylidene-1,2-diphenyl-ethyl) ethanoate;A831432;SR-01000509972;SR-01000509972-1;Q27894613

Chemical Property of Benzoin acetate

Chemical Property:

• Appearance/Colour: solid
• Vapor Pressure: 5.91E-06mmHg at 25°C
• Melting Point: 81-82 °C(lit.)
• Boiling Point: 379.3°Cat760mmHg
• Flash Point: 167.2°C
• PSA: 43.37000
• Density: 1.161g/cm³
• LogP: 3.17370
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 254.094294304
• Heavy Atom Count: 19
• Complexity: 312

Purity/Quality:

99% ^*data from raw suppliers

ALPHA-PHENYLPHENACYL ACETATE Aldrich ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Benzoin acetate

There total 59 articles about Benzoin acetate 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: 99.0%

2-hydroxy-2-phenylacetophenone (119-53-9,579-44-2) + acetic acid (64-19-7,77671-22-8) → 2-acetoxy-2-phenylacetophenone (62398-10-1,84275-45-6,84275-46-7,574-06-1)

Guidance literature:

With bismuth(lll) trifluoromethanesulfonate; at 20 ℃; for 1h;

Reference yield: 97.0%

2-hydroxy-2-phenylacetophenone (119-53-9,579-44-2) + acetyl chloride (75-36-5) → 2-acetoxy-2-phenylacetophenone (62398-10-1,84275-45-6,84275-46-7,574-06-1)

Guidance literature:

zirconium(IV) oxychloride; at 20 ℃; for 0.333333h;

DOI:10.1016/j.tetlet.2004.10.164

Reference yield: 88.0%

2-hydroxy-2-phenylacetophenone (119-53-9,579-44-2) → 2-acetoxy-2-phenylacetophenone (62398-10-1,84275-45-6,84275-46-7,574-06-1)

Guidance literature:

With sulfuric acid; acetic anhydride; In dichloromethane; water;

upstream raw materials:

phenyl benzyl ketone

benzoin monomethyl ether

acetic anhydride

2-hydroxy-2-phenylacetophenone

Downstream raw materials:

(E)-O,O'-diacetyl-1,2-diphenylethen-1,2-diol

2-methyl-4,5-diphenyloxazole

2-methyl-4,5-diphenyl-1H-imidazole

1,2-diphenyl-2-(phenylamino)ethanone