Diethyl dodecylpropanedioate

Base Information

• Chemical Name: Diethyl dodecylpropanedioate
• CAS No.: 7252-87-1
• Molecular Formula: C19H36O4
• Molecular Weight: 328.4867
• NSC Number: 74096
• DSSTox Substance ID: DTXSID40291213
• Nikkaji Number: J2.257.747F
• Wikidata: Q82029097
• Mol file: 7252-87-1.mol

Synonyms:7252-87-1;NSC 74096;diethyl dodecylpropanedioate;NSC74096;Diethyl Dodecyl Malonate;diethyl n-dodecylmalonate;NCIOpen2_008738;SCHEMBL4416096;DTXSID40291213;2-Dodecylmalonic acid diethyl ester;NSC-74096

Chemical Property of Diethyl dodecylpropanedioate

Chemical Property:

• Vapor Pressure: 3.24E-05mmHg at 25°C
• Boiling Point: 354.9°C at 760 mmHg
• Flash Point: 157.6°C
• Density: 0.939g/cm³
• XLogP3: 7.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 17
• Exact Mass: 328.26135963
• Heavy Atom Count: 23
• Complexity: 284

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Diethyl dodecylpropanedioate

There total 7 articles about Diethyl dodecylpropanedioate 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: 96.0%

1-dodecylbromide (143-15-7) + diethyl malonate (105-53-3) → diethyl 2-dodecylmalonate (7252-87-1)

Guidance literature:

With sodium ethanolate; In ethanol; for 5h; Heating;

Reference yield: 91.0%

→ diethyl 2-dodecylmalonate (7252-87-1)

Guidance literature:

With potassium carbonate; In tetrahydrofuran; N,N-dimethyl-formamide; at 90 ℃; for 18h; Cooling with ice;

Reference yield: 36.0%

→ diethyl 2-dodecylmalonate (7252-87-1) + 2-(12-phthalimido dodecyl)propane dioic acid di-tert-butyl ester (1258380-49-2)

Guidance literature:

With sodium hydride; In tetrahydrofuran; mineral oil; at 20 ℃; for 0.166667h;

In tetrahydrofuran; mineral oil; at 20 ℃; for 7h; Reflux;

upstream raw materials:

1-dodecylbromide

diethyl malonate

sodium diethylmalonate

Downstream raw materials:

dodecylmalonic acid

4-dodecyl-1,2-diphenyl-pyrazolidine-3,5-dione

tetracosane-10,11-dione

bis<4-(5-dodecyl-1,3-dioxan-2-yl)phenyl>terephthalate

Refernces

• 1、 -. "NOVEL MESITYLENE-CORED AMPHIPHILES AND USES THEREOF". Paragraph 126; 127; 137; 138; 159; 160. . Retrieved 2018/02/28.
• 2、 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.