Propanedioic acid, [(trimethylsilyl)methyl]-, diethyl ester

Base Information

• Chemical Name: Propanedioic acid, [(trimethylsilyl)methyl]-, diethyl ester
• CAS No.: 17962-38-8
• Molecular Formula: C11H22 O4 Si
• Molecular Weight: 246.379
• Hs Code.: 2931900090
• European Community (EC) Number: 241-887-6
• UNII: AZD84MD265
• DSSTox Substance ID: DTXSID6066284
• Nikkaji Number: J260.807C
• Wikidata: Q81992880
• Mol file: 17962-38-8.mol

Synonyms:17962-38-8;DIETHYL(TRIMETHYLSILYLMETHYL)MALONATE;Propanedioic acid, [(trimethylsilyl)methyl]-, diethyl ester;Diethyl 2-((trimethylsilyl)methyl)malonate;diethyl 2-(trimethylsilylmethyl)propanedioate;Diethyl ((trimethylsilyl)methyl)malonate;C11H22O4Si;AZD84MD265;EINECS 241-887-6;Propanedioic acid, ((trimethylsilyl)methyl)-, diethyl ester;Propanedioic acid, 2-((trimethylsilyl)methyl)-, 1,3-diethyl ester;Propanedioic acid, 2-[(trimethylsilyl)methyl]-, 1,3-diethyl ester;Diethyl [(trimethylsilyl)methyl]malonate;1,3-diethyl 2-[(trimethylsilyl)methyl]propanedioate;1,3-DIETHYL 2-((TRIMETHYLSILYL)METHYL)PROPANEDIOATE;Propanedioic acid,2-[(trimethylsilyl)methyl]-,1,3-diethyl ester;UNII-AZD84MD265;SCHEMBL6740396;DTXSID6066284;C11-H22-O4-Si;Propanedioic acid,2-[(trimethylsilyl)methyl]-, 1,3-diethyl ester;MFCD00053761;diethyl 2-(trimethylsilylmethyl)malonate;WS-02195;FT-0637633;E74074;2-(Trimethylsilylmethyl)malonic acid diethyl ester

Chemical Property of Propanedioic acid, [(trimethylsilyl)methyl]-, diethyl ester

Chemical Property:

• Vapor Pressure: 1.45mmHg at 25°C
• Boiling Point: 252.8 °C at 760 mmHg
• Flash Point: 88.7 °C
• PSA: 52.60000
• Density: 0.973 g/cm³
• LogP: 2.06700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 246.12873571
• Heavy Atom Count: 16
• Complexity: 227

Purity/Quality:

99% ^*data from raw suppliers

DIETHYL(TRIMETHYLSILYLMETHYL)MALONATE 97.00% ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C(C[Si](C)(C)C)C(=O)OCC

Technology Process of Propanedioic acid, [(trimethylsilyl)methyl]-, diethyl ester

There total 3 articles about Propanedioic acid, [(trimethylsilyl)methyl]-, diethyl ester 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: 87.0%

diethyl malonate (105-53-3) + Chloromethyltrimethylsilane (2344-80-1) → diethyl<(trimethylsilyl)methyl>malonate (17962-38-8)

Guidance literature:

diethyl malonate; With sodium ethanolate; Inert atmosphere;

Chloromethyltrimethylsilane; Inert atmosphere;

DOI:10.1016/j.jorganchem.2010.08.027

Reference yield:

(bromomethyl)trimethylsilane (18243-41-9) + diethyl malonate (105-53-3) → diethyl<(trimethylsilyl)methyl>malonate (17962-38-8)

Guidance literature:

With sodium ethanolate;

Reference yield:

sodium diethylmalonate (996-82-7) + Chloromethyltrimethylsilane (2344-80-1) → diethyl<(trimethylsilyl)methyl>malonate (17962-38-8)

Guidance literature:

DOI:10.1007/BF00947552

upstream raw materials:

(bromomethyl)trimethylsilane

diethyl malonate

Chloromethyltrimethylsilane

sodium diethylmalonate

Downstream raw materials:

3-trimethylsilylpropionic acid

4-Methoxy-2-methylene-4-phenyl-butyric acid ethyl ester

4-Methoxy-2-methylene-6-phenyl-hexanoic acid ethyl ester

ethyl 2-(trimethylsilylmethyl)acrylate

Refernces

• 1、 Zhang, Shizhong,Bordwell, Frederick G.. "β-silyl effects on the stabilities of carbanions and carbon-centered radicals derived from ethyl thionacetates, diethyl malonates, and ethyl acetoacetates". . p. 51 - 54. Retrieved 2007/10/03.