ETHYL 3-(1,3-DIOXOLAN-2-YLMETHYL)BENZOATE

Base Information

• Chemical Name: ETHYL 3-(1,3-DIOXOLAN-2-YLMETHYL)BENZOATE
• CAS No.: 898776-72-2
• Molecular Formula: C13H16O4
• Molecular Weight: 236.268
• Mol file: 898776-72-2.mol

Synonyms:ETHYL 3-(1,3-DIOXOLAN-2-YLMETHYL)BENZOATE

Chemical Property of ETHYL 3-(1,3-DIOXOLAN-2-YLMETHYL)BENZOATE

Chemical Property:

• Vapor Pressure: 4.99E-05mmHg at 25°C
• Boiling Point: 348.5°C at 760 mmHg
• Flash Point: 153.3°C
• PSA: 44.76000
• Density: 1.16g/cm³
• LogP: 1.77870

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of ETHYL 3-(1,3-DIOXOLAN-2-YLMETHYL)BENZOATE

There total 2 articles about ETHYL 3-(1,3-DIOXOLAN-2-YLMETHYL)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: 66.0%

2-bromomethyl-1,3-dioxolane (4360-63-8) + ethyl 3-bromobenzoate (24398-88-7) → 2-methyl-1,3-dioxolane (497-26-7) + di(1,3-dioxolan-2-yl)methane (4405-17-8) + benzoic acid ethyl ester (93-89-0,99341-95-4) + ethyl 3-((1,3-dioxolan-2-yl)methyl)benzoate (898776-72-2) + 3,3'-dicarbethoxybiphenyl (303730-26-9)

Guidance literature:

With pyridine; 1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone; 1,10-Phenanthroline; NiI₂*3.5H₂O; sodium iodide; zinc; at 20 - 60 ℃; for 19h; chemoselective reaction;

DOI:10.1021/ja301769r

Reference yield: 60.0%

2-bromomethyl-1,3-dioxolane (4360-63-8) + ethyl 3-bromobenzoate (24398-88-7) → ethyl 3-((1,3-dioxolan-2-yl)methyl)benzoate (898776-72-2)

Guidance literature:

With pyridine; 1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone; 1,10-Phenanthroline; nickel(II) iodide hydrate; sodium iodide; zinc; at 80 ℃;

DOI:10.15227/orgsyn.090.0200

upstream raw materials:

2-bromomethyl-1,3-dioxolane

ethyl 3-bromobenzoate

Refernces

• 1、 Everson, Daniel A.,George, David T.,Weix, Daniel J.. "Nickel-catalyzed cross-coupling of aryl halides with alkyl halides: Ethyl 4-(4-(4-methylphenylsulfonamido)-phenyl)butanoate". . p. 200 - 214. Retrieved 2014/04/03.