Didodecyl malonate

Base Information

• Chemical Name: Didodecyl malonate
• CAS No.: 26720-22-9
• Molecular Formula: C27H52O4
• Molecular Weight: 440.707
• Hs Code.: 2917190090
• DSSTox Substance ID: DTXSID40445254
• Nikkaji Number: J1.285.116B
• Wikidata: Q82263612
• Mol file: 26720-22-9.mol

Synonyms:DIDODECYL MALONATE;26720-22-9;Didodecyl Propanedioate;malonic acid didodecyl ester;SCHEMBL207689;propanedioic acid didodecyl ester;DTXSID40445254;AKOS024390679;1,3-Bis(dodecyloxy)propane-1,3-dione;FT-0638630;A818567

Chemical Property of Didodecyl malonate

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 33-34 °C
• Refractive Index: 1.456
• Boiling Point: 452.522 °C at 760 mmHg
• PKA: 11.76±0.46(Predicted)
• Flash Point: 203.201 °C
• PSA: 52.60000
• Density: 0.916 g/cm³
• LogP: 8.30470
• XLogP3: 11.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 26
• Exact Mass: 440.38656014
• Heavy Atom Count: 31
• Complexity: 359

Purity/Quality:

99% ^*data from raw suppliers

DIDODECYL MALONATE 97.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCOC(=O)CC(=O)OCCCCCCCCCCCC

Technology Process of Didodecyl malonate

There total 3 articles about Didodecyl 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: 58.0%

1-dodecyl alcohol (112-53-8) + carbon monoxide (201230-82-2) → lauryl acetate (112-66-3) + bis(dodecyl) malonate (26720-22-9)

Guidance literature:

With Fe₂(CO)8CH₂; In hexane; at 70 ℃; for 16h; under 53200 Torr; Product distribution; Mechanism; solvent, time, reagent, temperature, pressure;

DOI:10.1016/0022-328X(89)85121-6

Reference yield: 9.0%

1-dodecyl alcohol (112-53-8) + carbon monoxide (201230-82-2) + CH2Fe2 → lauryl acetate (112-66-3) + bis(dodecyl) malonate (26720-22-9)

Guidance literature:

at 70 ℃; under 30400 Torr;

DOI:10.1016/0022-328X(85)80023-1

Reference yield: 3.0%

1-dodecyl alcohol (112-53-8) + carbon monoxide (201230-82-2) → lauryl acetate (112-66-3) + bis(dodecyl) malonate (26720-22-9)

Guidance literature:

In toluene; at 70 ℃; under 30400 Torr;

DOI:10.1016/0022-328X(89)85121-6

upstream raw materials:

1-dodecyl alcohol

carbon monoxide

Downstream raw materials:

2-(3,5-Di-tert-butyl-4-hydroxy-benzyl)-2-(4-hydroxy-3,5-dimethyl-benzyl)-malonic acid didodecyl ester

2,2-Bis-(3-tert-butyl-4-hydroxy-5-methyl-benzyl)-malonic acid didodecyl ester

2,2-Bis-(4-hydroxy-3,5-dimethyl-benzyl)-malonic acid didodecyl ester

Refernces

• 1、 Denise, B.,Navarre, D.,Rudler, H.. "Selective formation of malonate by a double CO insertion reaction into a μ-alkylidene complex of palladium". . p. C83 - C85. Retrieved 2007/10/02.