BENZYL ETHYL MALONATE

Base Information

• Chemical Name: BENZYL ETHYL MALONATE
• CAS No.: 42998-51-6
• Molecular Formula: C12H14O4
• Molecular Weight: 222.241
• Hs Code.: 2917190090
• Mol file: 42998-51-6.mol

Synonyms:3-O-benzyl 1-O-ethyl propanedioate;BENZYL ETHYL MALONATE;

Chemical Property of BENZYL ETHYL MALONATE

Chemical Property:

• Appearance/Colour: clear colorless to light yellow liquid
• Vapor Pressure: 0.00217mmHg at 25°C
• Refractive Index: 1.493-1.503
• Boiling Point: 289.7°Cat760mmHg
• PKA: 11.75±0.46(Predicted)
• Flash Point: 137.4°C
• PSA: 52.60000
• Density: 1.138g/cm³
• LogP: 1.68300
• Water Solubility.: Soluble in water 525.7 mg/L @ 25°C. Soluble in alcohol.

Purity/Quality:

99% ^*data from raw suppliers

BENZYL ETHYL MALONATE 95.00% ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25-23

MSDS Files:

Useful:

• Uses: Benzyl ethyl malonate is used as a pharmaceutical intermediate.

Technology Process of BENZYL ETHYL MALONATE

There total 17 articles about BENZYL ETHYL MALONATE 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%

malonic acid monobenzyl ester (40204-26-0) + chloroformic acid ethyl ester (541-41-3) → benzyl ethyl malonate (42998-51-6)

Guidance literature:

With triethylamine; In tetrahydrofuran; at 4 ℃; for 0.5h;

DOI:10.1016/S0040-4039(00)98555-1

Reference yield: 98.0%

hydrogen ethyl malonate (1071-46-1) + benzyl chloroformate (501-53-1,94274-21-2) → benzyl ethyl malonate (42998-51-6)

Guidance literature:

With triethylamine; In tetrahydrofuran; at 4 ℃; for 0.5h;

DOI:10.1016/S0040-4039(00)98555-1

Reference yield: 87.0%

diethyl malonate (105-53-3) + benzyl alcohol (100-51-6,185532-71-2) → malonic acid dibenzyl ester (15014-25-2) + benzyl ethyl malonate (42998-51-6)

Guidance literature:

at 140 - 170 ℃;

DOI:10.1080/00304940009355924

upstream raw materials:

malonomonoimidic acid-1-ethyl ester-3-benzyl ester; hydrochloride

diethyl malonate

benzyl alcohol

hydrogen ethyl malonate

Downstream raw materials:

ethyl butyroyl acetate

(1-acetoxy-ethylidene)-malonic acid ethyl ester-benzyl ester

(5-Cyan-1-oxo-pentyl)-malonsaeureethyl-benzylester

2-(5-Oxo-pyrrolidin-2-yl)-malonic acid benzyl ester ethyl ester

Refernces

• 1、 Thimmaraju,Mohamed Shamshuddin,Pratap,Venkatesh. "Transesterification of diethyl malonate with benzyl alcohol catalyzed by modified zirconia: Kinetic study". . p. 55 - 65. Retrieved 2014/05/20.
• 2、 Vijayasankar,Nagaraju. "Preparation and characterisation of amorphous mesoporous aluminophosphate and metal aluminophosphate as an efficient heterogeneous catalyst for transesterification reaction". experimental part. p. 1109 - 1116. Retrieved 2012/03/11.