1-Phenyl-1,2-ethanediol diacetate

Base Information

• Chemical Name: 1-Phenyl-1,2-ethanediol diacetate
• CAS No.: 6270-03-7
• Deprecated CAS: 83023-91-0
• Molecular Formula: C12H14 O4
• Molecular Weight: 222.241
• European Community (EC) Number: 228-445-8
• NSC Number: 33723,13529
• DSSTox Substance ID: DTXSID20863735
• Nikkaji Number: J60.244B
• Mol file: 6270-03-7.mol

Synonyms:6270-03-7;Phenylglycol diacetate;1-Phenyl-1,2-ethanediol diacetate;1,2-Ethanediol, 1-phenyl-, diacetate;(2-acetyloxy-1-phenylethyl) acetate;(2-acetyloxy-2-phenylethyl) acetate;1,2-Ethanediol, 1-phenyl-, 1,2-diacetate;1, 1-phenyl-, diacetate;1,2-diacetoxyethylbenzene;Phenylethylene di(acetate);PHENYLGLYCOL-DIACETAT;83023-91-0;PHENYL GLYCOL DIACETATE;SCHEMBL4285363;WCYRXMRSUIXKRC-UHFFFAOYSA-;DTXSID20863735;1-Phenylethane-1,2-diyl diacetate;NSC13529;NSC33723;EINECS 228-445-8;NSC 13529;NSC 33723;NSC-13529;NSC-33723;Phenethyl alcohol,beta-hydroxy:diacetate;AI3-12129;PHENETHYL ALCOHOL, beta-HYDROXY:DIACETATE

Chemical Property of 1-Phenyl-1,2-ethanediol diacetate

Chemical Property:

• PSA: 52.60000
• LogP: 1.85390
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 222.08920892
• Heavy Atom Count: 16
• Complexity: 243

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-Phenyl-1,2-ethanediol diacetate

There total 76 articles about 1-Phenyl-1,2-ethanediol diacetate 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: 98.0%

styrene oxide (96-09-3) + acetic anhydride (108-24-7) → 1,2-diacetoxy-1-phenyl-ethane (6270-03-7,83023-91-0)

Guidance literature:

With tributylphosphine; In toluene; Heating;

DOI:10.1016/S0040-4039(03)00943-2

Reference yield: 96.0%

phenylethane 1,2-diol (93-56-1) + acetyl chloride (75-36-5) → 1,2-diacetoxy-1-phenyl-ethane (6270-03-7,83023-91-0)

Guidance literature:

With potassium fluoride on basic alumina; In toluene; for 2h;

DOI:10.1016/S0040-4020(01)00677-9

Reference yield: 95.0%

styrene (100-42-5,25038-60-2,25247-68-1,28213-80-1,28325-75-9,79637-11-9,9003-53-6) + acetic acid (64-19-7,77671-22-8) → 1,2-diacetoxy-1-phenyl-ethane (6270-03-7,83023-91-0)

Guidance literature:

With [bis(acetoxy)iodo]benzene; [Pd(H₂O)2(C₁₀H₆C₇H₄N₂CH₃)2]⁽²⁺⁾*2CF₃SO₃^(1-)=[Pd(H₂O)2(C₁₀H₆C₇H₄N₂CH₃)2](CF₃SO₃)2; at 20 ℃; for 15h;

DOI:10.1021/om900975a

upstream raw materials:

α,β-diacetoxy-styrene

phenylethane 1,2-diol

acetic anhydride

styrene

Downstream raw materials:

formic acid phenethyl ester

ethylbenzene

acetic acid phenethyl ester

(R)-1-phenyl-1,2-ethanediol

Refernces

• 1、 -. "PREPARATION OF DIESTERS OF (METH)ACRYLIC ACID FROM EPOXIDES". Page/Page column 23. . Retrieved 2020/03/05.
• 2、 Khaligh, Nader Ghaffari,Mihankhah, Taraneh,Johan, Mohd Rafie,Juan, Joon Ching. "4-Imidazol-1-yl-butane-1-sulfonic acid ionic liquid: Synthesis, structural analysis, physical properties and catalytic application as dual solvent-catalyst". . p. 866 - 878. Retrieved 2019/07/12.