Dimethyl tridecanedioate

Base Information

• Chemical Name: Dimethyl tridecanedioate
• CAS No.: 1472-87-3
• Molecular Formula: C15H28O4
• Molecular Weight: 272.385
• Hs Code.: 2917190090
• European Community (EC) Number: 216-012-6
• UNII: RIW8EWM34G
• DSSTox Substance ID: DTXSID8061717
• Nikkaji Number: J130.984F
• Wikidata: Q27288141
• Mol file: 1472-87-3.mol

Synonyms:Dimethyl brassylate;DIMETHYL TRIDECANEDIOATE;1472-87-3;Brassylic acid dimethyl ester;Tridecanedioic acid, dimethyl ester;Methyl brassylate;Tridecanedioic acid, 1,13-dimethyl ester;UNII-RIW8EWM34G;RIW8EWM34G;Dimethyl tridecane-1,13-dioate;EINECS 216-012-6;DIMETHYLTRIDECANEDIOATE;1,13-Dimethyltridecanedioate;SCHEMBL493832;DTXSID8061717;tridecanedioic acid dimethyl ester;DIMETHYL BRASSYLATE [INCI];MFCD00008464;BS-48955;DIMETHYL 1,11-UNDECANEDICARBOXYLATE;FT-0623192;1,13-Undecanedicarboxylic acid dimethyl ester;UNDECANEDICARBOXYLIC ACID DIMETHYL ESTER;W-108117;15(S)-15-METHYLPROSTAGLANDINF2ALPHAMETHYLESTER;Q27288141

Chemical Property of Dimethyl tridecanedioate

Chemical Property:

• Appearance/Colour: Powder
• Vapor Pressure: 0.000208mmHg at 25°C
• Melting Point: 35-37 °C(lit.)
• Refractive Index: 1.443
• Boiling Point: 326.999 °C at 760 mmHg
• Flash Point: 140.751 °C
• PSA: 52.60000
• Density: 0.962 g/cm³
• LogP: 3.62350
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 14
• Exact Mass: 272.19875937
• Heavy Atom Count: 19
• Complexity: 214

Purity/Quality:

98%, ^*data from raw suppliers

DIMETHYL BRASSYLATE 99.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Dimethyl tridecanedioate

There total 9 articles about Dimethyl tridecanedioate 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: 98.0%

methanol (67-56-1) + brassylic acid (505-52-2) → dimethyl 1,11-undecanedicarboxylate (1472-87-3)

Guidance literature:

With sulfuric acid; for 5h; Heating;

Reference yield:

methanol (67-56-1) + hexadecanoic acid methyl ester (112-39-0) → hexanedioic acid dimethyl ester (627-93-0) + Dimethyl azelate (1732-10-1) + nonanoic acid methyl ester (1731-84-6) + Methyl decanoate (110-42-9) + methyl undecanoate (1731-86-8) + methyl n-dodecanoate (111-82-0) + methyl tridecanoate (1731-88-0) + methyl myristoate (124-10-7) + dimethyl 1,7-heptanedioate (1732-08-7) + dimethyl subarate (1732-09-8) + dimethyl sebacate (106-79-6) + dimethyl undecanedioate (4567-98-0) + dodecanedioic acid dimethyl ester (1731-79-9) + dimethyl 1,11-undecanedicarboxylate (1472-87-3) + dimethyl tetradecanedioate (5024-21-5) + dimethyl pentadecanedioate (36575-82-3)

Guidance literature:

With cobalt(II) acetate; manganese(II) acetate; zirconium(IV) chloride; acetic acid; potassium bromide; at 150 ℃; for 2h; under 30003 Torr; Autoclave;

DOI:10.1016/j.cattod.2014.02.041

Reference yield:

methanol (67-56-1) + concentrated H2 SO4 + brassylic acid (505-52-2) → dimethyl 1,11-undecanedicarboxylate (1472-87-3)

Guidance literature:

With sodium hydrogencarbonate; silica gel; In dichloromethane; water;

upstream raw materials:

methanol

Methyl 10-undecenoate

acetic acid

methanetricarboxylic acid trimethyl ester

Downstream raw materials:

1,13-tridecanediol

13-bromo-1-tridecylalcohol

hexacosane-1,26-diol

ω-tridecyn-1-oic acid

Refernces

• 1、 Gabriel, Adeyemi Francis,Li, Zhen,Kusuda, Ryouhei,Tanaka, Chiaki,Miyamoto, Tomofumi. "Six New Polyacetylenic Alcohols from the Marine Sponges Petrosia sp. and Halichondria sp.". . p. 469 - 475. Retrieved 2015/09/07.
• 2、 Haulotte, Eveline,Laurent, Pascal,Braekman, Jean-Claude. "Biosynthesis of defensive coccinellidae alkaloids: Incorporation of fatty acids in adaline, coccinelline, and harmonine". experimental part. p. 1907 - 1912. Retrieved 2012/05/31.