Benzyl ethyl carbonate

Base Information

• Chemical Name: Benzyl ethyl carbonate
• CAS No.: 22768-02-1
• Molecular Formula: C10H12 O3
• Molecular Weight: 180.203
• NSC Number: 409982,29889
• DSSTox Substance ID: DTXSID40945446
• Nikkaji Number: J477.094C
• Wikidata: Q82922794
• Mol file: 22768-02-1.mol

Synonyms:22768-02-1;Benzyl ethyl carbonate;benzylethylcarbonate;NSC29889;Benzyl ethyl carbonate #;SCHEMBL1840737;DTXSID40945446;FJLGSLSITVQVRJ-UHFFFAOYSA-N;NSC-29889;NSC409982;AKOS017270165;NSC-409982;Carbonic acid, O(1)-benzyl-O(2)-ethyl(ester)

Chemical Property of Benzyl ethyl carbonate

Chemical Property:

• Vapor Pressure: 0.023mmHg at 25°C
• Boiling Point: 249.3°C at 760 mmHg
• Flash Point: 93.2°C
• Density: 1.091g/cm³
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 180.078644241
• Heavy Atom Count: 13
• Complexity: 150

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)OCC1=CC=CC=C1

Technology Process of Benzyl ethyl carbonate

There total 23 articles about Benzyl ethyl carbonate 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%

benzyl alcohol (100-51-6,185532-71-2) + Diethyl carbonate (105-58-8,76619-83-5) → benzyl ethyl carbonate (22768-02-1)

Guidance literature:

aluminum oxide; cesium fluoride; at 129.85 ℃; for 0.5h;

DOI:10.1002/ejoc.200400888

Reference yield: 97.0%

benzyl alcohol (100-51-6,185532-71-2) → benzyl ethyl carbonate (22768-02-1)

Guidance literature:

With γ-Fe2O3-immobilized 1,5,7-triazabicyclo[4.4.0]dec-5-ene nanoparticles (MNPs-TBD); at 125 ℃; for 10h; Reagent/catalyst; Temperature;

DOI:10.1002/ejic.201301586

Reference yield: 96.0%

chloroformic acid ethyl ester (541-41-3) + benzyl alcohol (100-51-6,185532-71-2) → benzyl ethyl carbonate (22768-02-1)

Guidance literature:

With pyridine; In dichloromethane; at 0 - 20 ℃;

DOI:10.1016/j.tet.2010.07.067

upstream raw materials:

chloroformic acid ethyl ester

benzyl alcohol

N-benzyloxycarbonylimidazole

ethanol

Downstream raw materials:

DBC

Diethyl carbonate

p-benzylanizole

phenylacetic acid

Refernces

• 1、 Song, Jinliang,Zhang, Binbin,Wu, Tainbin,Yang, Guanying,Han, Buxing. "Organotin-oxomolybdate coordination polymer as catalyst for synthesis of unsymmetrical organic carbonates". . p. 922 - 927. Retrieved 2011.
• 2、 Adam, Farook,Wong, Min-Siang. "The synthesis of organic carbonates over nanocrystalline CaO prepared via microemulsion technique". . p. 87 - 90. Retrieved 2011.
• 3、 Mevan Dissanayake,Melville, Alex D.,Vannucci, Aaron K.. "Electrochemical anion pool synthesis of amides with concurrent benzyl ester synthesis". supporting information. p. 3165 - 3171. Retrieved 2019/06/18.