1-Ethyl 3-methyl malonate

Base Information

• Chemical Name: 1-Ethyl 3-methyl malonate
• CAS No.: 6186-89-6
• Molecular Formula: C6H10 O4
• Molecular Weight: 146.143
• NSC Number: 128183
• DSSTox Substance ID: DTXSID80299096
• Nikkaji Number: J518.001E
• Wikidata: Q82041293
• Mol file: 6186-89-6.mol

Synonyms:6186-89-6;1-Ethyl 3-methyl malonate;Propanedioic acid,1-ethyl 3-methyl ester;ethyl methyl malonate;3-O-ethyl 1-O-methyl propanedioate;NSC128183;SCHEMBL79626;1-Ethyl 3-methyl malonate #;DTXSID80299096;LIRDIZPKBSSVBK-UHFFFAOYSA-N;Propanedioic acid, methyl,ethyl ester;1-ETHYL 3-METHYL PROPANEDIOATE;NSC-128183;AS-84391;propanedioic acid methyl ester ethyl ester;E77761;EN300-1127922

Chemical Property of 1-Ethyl 3-methyl malonate

Chemical Property:

• Vapor Pressure: 0.545mmHg at 25°C
• Boiling Point: 190.3°Cat760mmHg
• Flash Point: 88.4°C
• Density: 1.086g/cm³
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 146.05790880
• Heavy Atom Count: 10
• Complexity: 130

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CC(=O)OC

Technology Process of 1-Ethyl 3-methyl malonate

There total 6 articles about 1-Ethyl 3-methyl 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%

methanol (67-56-1) + diethyl 2-nitro-3-oxopentanedioate (1010117-23-3) → nitroacetic acid ethyl ester (626-35-7) + ethyl methyl malonate (6186-89-6)

Guidance literature:

In chloroform; at 60 ℃; for 24h;

DOI:10.1246/bcsj.80.2413

Reference yield:

ethanol (64-17-5) + methyl 4,4,4-trichloroacetoacetate (687-00-3) → chloroform (67-66-3,8013-54-5) + ethyl methyl malonate (6186-89-6)

Guidance literature:

With triethylamine; Product distribution;

Reference yield:

methanol (67-56-1) → ethyl methyl malonate (6186-89-6) + carbon monoxide (201230-82-2) + ethyl acetate (141-78-6) + ethyl iodoacetae (623-48-3)

Guidance literature:

With EtOOCCH₂Co(CO)4; iodine; In diethyl ether; at 21 ℃; for 0.666667h; Product distribution; var. times, also reactions without alcohol;

DOI:10.1016/S0022-328X(00)87044-8

upstream raw materials:

methanol

ethanol

methyl 4,4,4-trichloroacetoacetate

diethyl malonate

Downstream raw materials:

3-carboxy-4-nitrobenzenethiolate

2-Methoxycarbonyl-4-(3-methoxy-phenyl)-pentanedioic acid diethyl ester

Diethyl 2-bromomalonate

ethyl methyl bromomalonate