Dimethyl heptadecanedioate

Base Information

• Chemical Name: Dimethyl heptadecanedioate
• CAS No.: 19102-92-2
• Molecular Formula: C19H36 O4
• Molecular Weight: 328.492
• Hs Code.: 2917190090
• DSSTox Substance ID: DTXSID60503007
• Nikkaji Number: J3.188.293A
• Wikidata: Q82356486
• Mol file: 19102-92-2.mol

Synonyms:dimethyl heptadecanedioate;19102-92-2;Heptadecanedioic acid dimethyl ester;Heptadecanedioic acid, 1,17-dimethyl ester;Heptadecanedioic acid, dimethyl ester;SCHEMBL494247;DTXSID60503007

Chemical Property of Dimethyl heptadecanedioate

Chemical Property:

• PSA: 52.60000
• LogP: 5.18390
• XLogP3: 6.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 18
• Exact Mass: 328.26135963
• Heavy Atom Count: 23
• Complexity: 261

Purity/Quality:

99%,98%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)CCCCCCCCCCCCCCCC(=O)OC

Technology Process of Dimethyl heptadecanedioate

There total 14 articles about Dimethyl heptadecanedioate 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: 92.1%

methanol (67-56-1) + heptadecanedioic acid (2424-90-0) → dimethyl heptadecane-1,17-dioate (19102-92-2)

Guidance literature:

With sulfuric acid; at 64 - 65 ℃; for 12h; Inert atmosphere;

Reference yield: 58.0%

methanol (67-56-1) + hexadeca-2-enoic acid (629-56-1) + carbon monoxide (201230-82-2) → dimethyl heptadecane-1,17-dioate (19102-92-2)

Guidance literature:

With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; methanesulfonic acid; 1,2-bis[di(t-butyl)phosphinomethyl]benzene; at 90 ℃; for 20h; under 22502.3 Torr; Autoclave; Inert atmosphere; Schlenk technique;

DOI:10.1039/c3gc37071b

Reference yield: 36.0%

methanol (67-56-1) + pentadeca-1,14-diene (21964-50-1) + carbon monoxide (201230-82-2) → dimethyl heptadecane-1,17-dioate (19102-92-2)

Guidance literature:

With [{1,2-(tBu₂PCH₂)₂C₆H₄}Pd(OTf)](OTf); at 90 ℃; for 72h; under 15001.5 Torr; Autoclave;

DOI:10.1002/anie.201403991

upstream raw materials:

methanol

1-bromoheptadecane

heptadecanedioic acid

1,13-bis(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-yl)tridecane

Downstream raw materials:

heptadecanedioic acid monomethyl ester

1,17-heptadecanediol

17-hydroxy-heptadecanoic acid methyl ester