Dimethyl 2-propylmalonate

Base Information

• Chemical Name: Dimethyl 2-propylmalonate
• CAS No.: 14035-96-2
• Molecular Formula: C8H14 O4
• Molecular Weight: 174.197
• Hs Code.: 2917190090
• European Community (EC) Number: 604-182-8
• DSSTox Substance ID: DTXSID40930771
• Nikkaji Number: J26.291I
• Wikidata: Q72471687
• Mol file: 14035-96-2.mol

Synonyms:Dimethyl 2-propylmalonate;14035-96-2;DIMETHYL PROPYLMALONATE;163033-62-3;Propanedioic acid, propyl-, dimethyl ester;dimethyl 2-propylpropanedioate;dimethyl propylpropanedioate;Malonic acid, propyl-, dimethyl ester;1,3-dimethoxy-1,3-dioxo-2-propylpropan-2-yl;Dimethylpropylmalonate;Propanedioic acid, 2-propyl-, 1,3-dimethyl ester;Dimethyl 2-propylmalonate #;SCHEMBL2946633;Propylmalonic acid dimethyl ester;DTXSID40930771;AMY36991;2-propyl malonic acid dimethyl ester;MFCD07778475;2-propyl-propanedioicaciddimethylester;AKOS006287329;DS-4948;2-propyl-propanedioic acid dimethyl ester;CS-0152455;FT-0659236;D70239

Chemical Property of Dimethyl 2-propylmalonate

Chemical Property:

• Vapor Pressure: 0.264mmHg at 25°C
• Boiling Point: 204.4°C at 760 mmHg
• PKA: 13.27±0.46(Predicted)
• Flash Point: 90.8°C
• PSA: 52.60000
• Density: 1.037g/cm³
• LogP: 0.74870
• Storage Temp.: 2-8°C
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 174.08920892
• Heavy Atom Count: 12
• Complexity: 148

Purity/Quality:

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

Dimethyl2-propylmalonate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Dimethyl 2-propylmalonate

There total 14 articles about Dimethyl 2-propylmalonate 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: 95.0%

dimethyl 2-methyl-1,1-cyclopropanedicarboxylate (97935-32-5) → dimethyl 2-propylmalonate (14035-96-2)

Guidance literature:

With samarium diiodide; tris(dibenzoylmethano)iron(III); tert-butyl alcohol; In tetrahydrofuran; for 0.166667h; Ambient temperature;

DOI:10.1016/0040-4039(94)80123-1

Reference yield: 88.0%

dimethyl allylmalonate (40637-56-7) → dimethyl 2-propylmalonate (14035-96-2)

Guidance literature:

With manganese; water; palladium on activated charcoal; In tetrahydrofuran; at 20 ℃; for 24h;

DOI:10.1021/ol070779i

Reference yield: 80.0%

methanol (67-56-1) + 2-propylidene malonic acid dimethyl ester (18795-82-9) → dimethyl 2-propylmalonate (14035-96-2) + dimethyl 2-methyl-3,3-dimethoxypropane-1,1-dicarboxylate (51534-92-0) + 3,4-diethyl-cyclobutane-1,1,2,2-tetracarboxylic acid tetramethyl ester

Guidance literature:

With sodium iodide; at 60 ℃; 2.2 F/mol of the electricity;

DOI:10.1016/S0040-4020(98)00912-0

upstream raw materials:

methanol

n-propylmalonic acid

2-propylidene malonic acid dimethyl ester

propene

Downstream raw materials:

2,4,6-Tri-n-propyl-1,3-cyclohexandion

(E)-methyl 2-benzylidenepentanoate

2-Methylpentanoic acid

Refernces

• 1、 Reina, Antonio,Favier, Isabelle,Pradel, Christian,Gómez, Montserrat. "Stable Zero-Valent Nickel Nanoparticles in Glycerol: Synthesis and Applications in Selective Hydrogenations". . p. 3544 - 3552. Retrieved 2018/08/01.
• 2、 Qiu, Guanyinsheng,Mamboury, Mathias,Wang, Qian,Zhu, Jieping. "Ketenimines from Isocyanides and Allyl Carbonates: Palladium-Catalyzed Synthesis of β,γ-Unsaturated Amides and Tetrazoles". supporting information. p. 15377 - 15381. Retrieved 2016/12/06.