Dimethyl 2-(3-methylbutylidene)malonate

Base Information

• Chemical Name: Dimethyl 2-(3-methylbutylidene)malonate
• CAS No.: 53618-21-6
• Molecular Formula: C10H16O4
• Molecular Weight: 200.235
• Hs Code.: 2917190090
• NSC Number: 124621
• DSSTox Substance ID: DTXSID20298609
• Nikkaji Number: J132.600G
• Mol file: 53618-21-6.mol

Synonyms:Dimethyl 2-(3-methylbutylidene)malonate;53618-21-6;dimethyl 2-(3-methylbutylidene)propanedioate;Propanedioic acid, (3-methylbutylidene)-, dimethyl ester;NSC124621;SCHEMBL4008547;DTXSID20298609;NSC-124621;Dimethyl 2-(3-methyl-butylidene)malonate;Dimethyl 2-(3-methylbutylidene)malonate #;3-Methylbutylidenemalonic acid dimethyl ester

Chemical Property of Dimethyl 2-(3-methylbutylidene)malonate

Chemical Property:

• Vapor Pressure: 0.158mmHg at 25°C
• Boiling Point: 214.1°Cat760mmHg
• Flash Point: 91.9°C
• PSA: 52.60000
• Density: 1.03g/cm³
• LogP: 1.30490
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 200.10485899
• Heavy Atom Count: 14
• Complexity: 223

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CC=C(C(=O)OC)C(=O)OC

Technology Process of Dimethyl 2-(3-methylbutylidene)malonate

There total 6 articles about Dimethyl 2-(3-methylbutylidene)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: 100.0%

isovaleraldehyde (590-86-3) + malonic acid dimethyl ester (108-59-8) → dimethyl 2-(3-methylbutylidene)malonate (53618-21-6)

Guidance literature:

With chromatorex NH; In toluene; at 70 ℃; Reagent/catalyst; Temperature; Flow reactor; Molecular sieve;

DOI:10.1002/ejoc.201700998

Reference yield: 91.0%

dimethyl dibromomalonate (37167-59-2) + isovaleraldehyde (590-86-3) → dimethyl 2-(3-methylbutylidene)malonate (53618-21-6)

Guidance literature:

With dibutyl telluride; In tetrahydrofuran; at 50 ℃;

DOI:10.1080/00397919108019792

Reference yield: 88.0%

dimethyl diazomalonate (6773-29-1) + isovaleraldehyde (590-86-3) → dimethyl 2-(3-methylbutylidene)malonate (53618-21-6)

Guidance literature:

With copper(l) iodide; di-isobutyl telluride; at 100 ℃;

DOI:10.1016/S0040-4020(01)80425-7

upstream raw materials:

isovaleraldehyde

malonic acid dimethyl ester

4-isopropyl-4,5-dihydro-pyrazole-3,3-dicarboxylic acid dimethyl ester

dimethyl dibromomalonate

Downstream raw materials:

2-Isopropyl-3-phenylsulfanyl-cyclopropane-1,1-dicarboxylic acid dimethyl ester

4-(2-methylpropyl)pyrrolidin-2-one

(R,S)-3-iso-butyl-4-aminobutyric acid

C₂₆H₃₁NO₆