Diethyl Decylmalonate

Base Information

• Chemical Name: Diethyl Decylmalonate
• CAS No.: 5077-96-3
• Molecular Formula: C17H32 O4
• Molecular Weight: 300.439
• Hs Code.: 2917190090
• NSC Number: 74090
• DSSTox Substance ID: DTXSID80291212
• Nikkaji Number: J2.195.794A
• Wikidata: Q82029096
• Mol file: 5077-96-3.mol

Synonyms:Diethyl Decylmalonate;diethyl n-decylmalonate;5077-96-3;diethyl 2-decylpropanedioate;Decylmalonic acid, diethyl ester;diethyl 2-decylmalonate;NCIOpen2_003977;SCHEMBL9116048;DTXSID80291212;PAMYCOKKVLYDHI-UHFFFAOYSA-N;NSC74090;NSC-74090;AKOS017547772;FT-0753571

Chemical Property of Diethyl Decylmalonate

Chemical Property:

• Vapor Pressure: 0.00017mmHg at 25°C
• Boiling Point: 330.1°C at 760 mmHg
• PKA: 12.93±0.59(Predicted)
• Flash Point: 146.4°C
• PSA: 52.60000
• Density: 0.949g/cm³
• LogP: 4.25960
• XLogP3: 6.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 15
• Exact Mass: 300.23005950
• Heavy Atom Count: 21
• Complexity: 258

Purity/Quality:

99% ^*data from raw suppliers

DIETHYL N-DECYLMALONATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCC(C(=O)OCC)C(=O)OCC

Technology Process of Diethyl Decylmalonate

There total 8 articles about Diethyl Decylmalonate 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: 93.0%

1-bromo dodecane (112-29-8) + diethyl malonate (105-53-3) → diethyl decylmalonate (5077-96-3)

Guidance literature:

With potassium carbonate; In tetrahydrofuran; N,N-dimethyl-formamide; at 0 - 60 ℃; for 18h;

DOI:10.1002/chem.201603338

Reference yield: 93.0%

Iododecane (2050-77-3) + diethyl malonate (105-53-3) → diethyl decylmalonate (5077-96-3)

Guidance literature:

diethyl malonate; With sodium hydride; In N,N-dimethyl-formamide; at 20 ℃;

Iododecane; In N,N-dimethyl-formamide; at 60 ℃; for 8h; 93;

DOI:10.1021/ol050865n

Reference yield: 89.0%

→ diethyl decylmalonate (5077-96-3)

Guidance literature:

With potassium carbonate; In tetrahydrofuran; N,N-dimethyl-formamide; at 0 - 90 ℃; for 6h;

upstream raw materials:

ethyl laurate

oxalic acid diethyl ester

1-bromo dodecane

diethyl malonate

Downstream raw materials:

2-n-decyl malonic acid

2-ethyldodecanoic acid

2-Methylsulfanyl-dodecanoic acid ethyl ester

α-Thiophenoxy-laurinsaeure

Refernces

• 1、 Nikishin,G.I. et al.. "-". . . Retrieved 1961.
• 2、 Chinwangso, Pawilai,Hill, Lydia R. St.,Marquez, Maria D.,Lee, T. Randall. "Unsymmetrical spiroalkanedithiols having mixed fluorinated and alkyl tailgroups of varying length: Film structure and interfacial properties". . . Retrieved 2018/10/21.
• 3、 Cho, Kyung Ho,Ribeiro, Orquidea,Du, Yang,Tikhonova, Elena,Mortensen, Jonas S.,Markham, Kelsey,Hariharan, Parameswaran,Loland, Claus J.,Guan, Lan,Kobilka, Brian K.,Byrne, Bernadette,Chae, Pil Seok. "Mesitylene-Cored Glucoside Amphiphiles (MGAs) for Membrane Protein Studies: Importance of Alkyl Chain Density in Detergent Efficacy". supporting information. p. 18833 - 18839. Retrieved 2016/12/26.