Butyl ethyl malonate

Base Information

• Chemical Name: Butyl ethyl malonate
• CAS No.: 17373-84-1
• Molecular Formula: C9H16 O4
• Molecular Weight: 188.22
• Hs Code.: 2917190090
• UNII: D4AGC486TU
• DSSTox Substance ID: DTXSID80169649
• Metabolomics Workbench ID: 47288
• Nikkaji Number: J967.821B
• Wikidata: Q27276085
• Mol file: 17373-84-1.mol

Synonyms:Butyl ethyl malonate;17373-84-1;Propanedioic acid, butyl ethyl ester;Ethyl butyl malonate;3-O-butyl 1-O-ethyl propanedioate;Butyl ethyl propanedioate;Malonic acid, butyl ethyl ester;FEMA No. 2195;D4AGC486TU;Propanedioic acid, 1-butyl 3-ethyl ester;UNII-D4AGC486TU;butylethylmalonate;1-BUTYL 3-ETHYL PROPANEDIOATE;1-butyl 3-ethyl malonate;SCHEMBL1205859;FEMA 2195;DTXSID80169649;CHEBI:173898;BUTYL ETHYL MALONATE [FHFI];AKOS016010695;CS-0448276;Q27276085

Chemical Property of Butyl ethyl malonate

Chemical Property:

• Vapor Pressure: 0.0585mmHg at 25°C
• Boiling Point: 290.5°Cat760mmHg
• Flash Point: 108.9°C
• PSA: 52.60000
• Density: 1.071g/cm³
• LogP: 1.28290
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 188.10485899
• Heavy Atom Count: 13
• Complexity: 165

Purity/Quality:

98%,99%, ^*data from raw suppliers

BUTYL ETHYL MALONATE Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCOC(=O)CC(=O)OCC

Technology Process of Butyl ethyl malonate

There total 4 articles about Butyl 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: 99.0%

ethanol (64-17-5) + butyl 3-oxo-3-(phenylthio)propanoate (1319740-86-7) → butyl ethyl malonate (17373-84-1)

Guidance literature:

With triethylamine; In tetrahydrofuran; at 60 ℃; for 1.5h; air;

DOI:10.1021/ol201744u

Reference yield: 97.0%

hydrogen ethyl malonate (1071-46-1) + carbonochloridic acid, butyl ester (592-34-7) → butyl ethyl malonate (17373-84-1)

Guidance literature:

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

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

Reference yield:

oxalacetic acid-1-ethyl ester-4-butyl ester → butyl ethyl malonate (17373-84-1)

Guidance literature:

at 305 - 310 ℃; ueber Koksstuecke oder Bimsstein;

upstream raw materials:

hydrogen ethyl malonate

carbonochloridic acid, butyl ester

acetic acid butyl ester

ethanol

Refernces

• 1、 Gutman, Arie L.,Boltanski, Aviv. "A MILD, RAPID AND CONVENIENT ESTERIFICATION OF HALF ESTERS OF MALONIC ACID". . p. 1573 - 1576. Retrieved 2007/10/02.