3-Phenoxypropylene di(acetate)

Base Information

• Chemical Name: 3-Phenoxypropylene di(acetate)
• CAS No.: 7250-71-7
• Molecular Formula: C13H16O5
• Molecular Weight: 252.267
• European Community (EC) Number: 230-661-2
• NSC Number: 30150
• UNII: ZL62PTX2EN
• DSSTox Substance ID: DTXSID101032473
• Nikkaji Number: J50.905A
• Mol file: 7250-71-7.mol

Synonyms:3-Phenoxypropylene di(acetate);Phenylglyceryl ether diacetate;3-Phenoxy-1,2-propanediol diacetate;Glycerol phenyl ether diacetate;7250-71-7;(2-acetyloxy-3-phenoxypropyl) acetate;1-Phenyl ether-2,3-diacetate glycerol;1,2-Propanediol, 3-phenoxy-, diacetate;EINECS 230-661-2;NSC 30150;ZL62PTX2EN;BRN 1981828;AI3-07927;NSC-30150;4-06-00-00591 (Beilstein Handbook Reference);1,1'-(1-(Phenoxymethyl)-1,2-ethanediyl) diacetate;C13H16O5;3-phenoxypropane-1,2-diyl diacetate;Acetylenogen;Carburo calcico;Calcium acetylide;Calcium dicarbide;Carbure de calcium;C2Ca;Ethyne, calcium deriv.;CCB (CHRIS Code);Calcium carbide (CaC2);C2-Ca;UNII-ZL62PTX2EN;Carburo calcico [Spanish];2,3-Diacetoxypropoxybenzene;1, 3-phenoxy-, diacetate;Calcium carbide (Ca(C2));UNII-846WNV4A5F;Carbure de calcium [French];Calcium acetylide (Ca(C2));WLN: 1VO1YOV1&1OR;Carburo de calcio (ca (c2));SCHEMBL6360882;HSDB 1434;DTXSID101032473;NSC30150;EINECS 200-848-3;NA1402;UN1402;AKOS025295715;AI3-03101;LS-120702;2-(acetyloxy)-1-(phenoxymethyl)ethyl acetate;EC 200-848-3;1,2-PROPANEDIOL, 3-PHENOXY-, 1,2-DIACETATE

Chemical Property of 3-Phenoxypropylene di(acetate)

Chemical Property:

• Vapor Pressure: 2.27E-05mmHg at 25°C
• Refractive Index: 1.4825 (estimate)
• Boiling Point: 360.1°C at 760 mmHg
• Flash Point: 158.1°C
• PSA: 61.83000
• Density: 1.147g/cm³
• LogP: 1.56020
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 252.09977361
• Heavy Atom Count: 18
• Complexity: 271

Purity/Quality:

99% ^*data from raw suppliers

2-(ACETYLOXY)-1-(PHENOXYMETHYL)ETHYL ACETATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OCC(COC1=CC=CC=C1)OC(=O)C

Technology Process of 3-Phenoxypropylene di(acetate)

There total 12 articles about 3-Phenoxypropylene di(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: 98.0%

Phenyl glycidyl ether (122-60-1,71031-02-2) + acetic anhydride (108-24-7) → 1,2-di-O-acetyl-3-(phenoxy)propane-1,2-diol (7250-71-7)

Guidance literature:

With sodium tetrahydroborate; for 2h; Reflux;

DOI:10.1080/00397911003629515

Reference yield: 81.0%

allyl phenyl ether (1746-13-0) + acetic acid (64-19-7,77671-22-8) → 1,2-di-O-acetyl-3-(phenoxy)propane-1,2-diol (7250-71-7)

Guidance literature:

With oxygen; palladium diacetate; potassium iodide; at 100 ℃; for 24h; under 6080.41 Torr; Autoclave;

Reference yield: 71.0%

3-phenoxy-1,2-propanediol (538-43-2) + acetic anhydride (108-24-7) → 1,2-di-O-acetyl-3-(phenoxy)propane-1,2-diol (7250-71-7) + 1-O-acetyl-3-(phenoxy)propane-1,2-diol (63715-95-7,147220-19-7)

Guidance literature:

With pyridine; In dichloromethane; at 20 ℃;

DOI:10.1055/s-2003-42437

upstream raw materials:

3-phenoxy-1,2-propanediol

acetic anhydride

vinyl acetate

Phenyl glycidyl ether

Refernces

• 1、 Mirza-Aghayan, Maryam,Tavana, Mahdieh Molaee,Niazi, Elaheh Golam Alipour,Boukherroub, Rabah. "Efficient and regioselective ring-opening of epoxides with carboxylic acid catalyzed by graphite oxide". . p. 532 - 538. Retrieved 2020/07/17.
• 2、 Zeynizadeh, Behzad,Gilanizadeh, Masumeh,Aminzadeh, Farkhondeh Mohammad. "A highly efficient protocol for regioselective ring-opening of epoxides with alcohols, water, acetic acid, and acetic anhydride catalyzed by SbF3". . p. 1051 - 1056. Retrieved 2016/07/06.