1,4-Dimethyl 2-dodecylbutanedioate

Base Information

• Chemical Name: 1,4-Dimethyl 2-dodecylbutanedioate
• CAS No.: 1472-86-2
• Molecular Formula: C18H34O4
• Molecular Weight: 314.466
• DSSTox Substance ID: DTXSID001297131
• Nikkaji Number: J433.799I
• Mol file: 1472-86-2.mol

Synonyms:1,4-Dimethyl 2-dodecylbutanedioate;SCHEMBL205652;HZKZKJNBPVNYJN-UHFFFAOYSA-N;DTXSID001297131;1472-86-2;2-dodecyl-butanedioic acid dimethyl ester

Chemical Property of 1,4-Dimethyl 2-dodecylbutanedioate

Chemical Property:

• XLogP3: 6.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 16
• Exact Mass: 314.24570956
• Heavy Atom Count: 22
• Complexity: 289

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCC(CC(=O)OC)C(=O)OC

Technology Process of 1,4-Dimethyl 2-dodecylbutanedioate

There total 1 articles about 1,4-Dimethyl 2-dodecylbutanedioate 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: 90.0%

methanol (67-56-1) + 1-tetradecene (1120-36-1) + carbon monoxide (201230-82-2) → pentadecanoic acid methyl ester (7132-64-1) + methyl 2-methyltetradecanoate (55554-09-1) + dimethyl 2-dodecylsuccinate (1472-86-2)

Guidance literature:

With oxygen; copper(l) chloride; palladium dichloride; In tetrahydrofuran; at 25 ℃; for 168h; under 760 Torr; Yields of byproduct given;

DOI:10.1246/bcsj.64.3600

Reference yield:

dimethyl 2-dodecylsuccinate (1472-86-2) → dodecyl succinic acid (455-95-8)

Guidance literature:

With potassium hydroxide;

upstream raw materials:

methanol

1-tetradecene

carbon monoxide

Downstream raw materials:

dodecyl succinic acid