Methyl tridecanoate

Base Information

• Chemical Name: Methyl tridecanoate
• CAS No.: 1731-88-0
• Molecular Formula: C14H28O2
• Molecular Weight: 228.375
• Hs Code.: 29159000
• European Community (EC) Number: 217-054-8,267-018-0,262-988-1
• NSC Number: 163375
• UNII: O2H463RING
• DSSTox Substance ID: DTXSID8061923
• Nikkaji Number: J574F
• Wikidata: Q24764359
• Mol file: 1731-88-0.mol

Synonyms:METHYL TRIDECANOATE;1731-88-0;Tridecanoic acid, methyl ester;Tridecanoic acid methyl ester;Methyl n-tridecanoate;61788-59-8;EINECS 217-054-8;MFCD00008977;UNII-O2H463RING;NSC 163375;BRN 1769695;O2H463RING;n-Tridecanoic acid methyl ester;NSC-163375;4-02-00-01118 (Beilstein Handbook Reference);67762-40-7;Tridecanoic acid,methyl ester;methyl tridecylate;Tridecanoic acid methyl;Methyl tridecanoate ester;tridecanoic acid-methyl ester;QSPL 203;SCHEMBL1647268;DTXSID8061923;Methyl ester of tridecanoic acid;CDAA-251013M;CHEBI:143578;BAA73188;EINECS 267-018-0;Methyl tridecanoate, >=97% (GC);NSC163375;AKOS015839775;CS-W004287;HY-W004287;Methyl tridecanoate, analytical standard;AS-60387;SY051771;LS-157148;FT-0633801;T0960;H10828;A881801;J-010886;Q24764359;EF80D759-D71D-495A-A128-F98E5A2D6415;6-OXO-9ALPHA,11ALPHA,15S-TRIHYDROXY-PROSTA-13E,17Z-DIEN-1-OICACID

Chemical Property of Methyl tridecanoate

Chemical Property:

• Appearance/Colour: Colourless liquid
• Vapor Pressure: 0.00217mmHg at 25°C
• Melting Point: 5.5 °C(lit.)
• Refractive Index: n20/D 1.435(lit.)
• Boiling Point: 289.6 °C at 760 mmHg
• Flash Point: 124.9 °C
• PSA: 26.30000
• Density: 0.867 g/cm³
• LogP: 4.47040
• Storage Temp.: −20°C
• Solubility.: Chloroform, Methanol
• XLogP3: 6.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 12
• Exact Mass: 228.208930132
• Heavy Atom Count: 16
• Complexity: 155

Purity/Quality:

98%, ^*data from raw suppliers

Methyl tridecanoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 41
• Safety Statements: 26-39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: UVCB,Other Classes -> Esters,Other
• Canonical SMILES: CCCCCCCCCCCCC(=O)OC
• Uses: Intermediate in organic synthesis, biochemicalresearch, reference standard in gas chromatography. Methyl Tridecanoate can be isolated from a methanol extract of Abelmoschus manihot (Malvaceae) leaves and has potential anti-inflammatory activity.

Technology Process of Methyl tridecanoate

There total 43 articles about Methyl tridecanoate 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) + tridecanoic acid (638-53-9) → methyl tridecanoate (1731-88-0)

Guidance literature:

With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; at 0 - 20 ℃; Inert atmosphere;

DOI:10.1002/cbdv.201600020

Reference yield: 81.0%

1-Methanesulfinyl-1-methanesulfonyl-tridecane (81236-34-2) → methyl tridecanoate (1731-88-0)

Guidance literature:

With hydrogenchloride; In methanol; for 10h; Heating;

DOI:10.1016/S0040-4039(01)93025-4

Reference yield: 80.0%

methanol (67-56-1) + 1-benzenesulfonyl-1-nitrotridecane → methyl tridecanoate (1731-88-0)

Guidance literature:

methanol; 1-benzenesulfonyl-1-nitrotridecane; With 1,8-diazabicyclo[5.4.0]undec-7-ene; In dichloromethane; at 0 ℃; for 0.166667h;

With ozone; In dichloromethane; at -78 ℃; for 0.166667h;

DOI:10.1016/j.tet.2019.130883

upstream raw materials:

diazomethane

Flexirubin-dimethylether

tridecanoic acid

methanol

Downstream raw materials:

2-methyltridecanoic acid

methyl 2-methyltridecanoate

1-dodecyl alcohol

(S)-dodecylglycerol

Refernces

• 1、 Schlingmann,Milne,Pearce,Borders,Greenstein,Maiese,Carter. "Isolation, characterization and structure of a new allenic polyine antibiotic produced by fungus LL-07F275". . p. 375 - 379. Retrieved 1995.
• 2、 Hoberg, Heinz,Baerhausen, Dieter. "Nickel(=)-induzierte CC-Verknuepfung von CO2 mit 1,3-Butadien zu linearen C13-Saeuren". . p. C7 - C12. Retrieved 1989.
• 3、 Ho, Wen-Yueh,Lin, Wesley,Lin, Yi-Jyun,Luo, Shun-Yuan,Pantawane, Amit,Su, Po-Fang,Thul, Mayur,Tseng, Shao-An,Wu, Hsin-Ru. "Tunable aryl imidazolium ionic liquids (TAIILs) as environmentally benign catalysts for the esterification of fatty acids to biodiesel fuel". . . Retrieved 2020/12/02.
• 4、 Yoo, Jae Won,Seo, Youngran,Park, Jong Beom,Kim, Young Gyu. "Two-way homologation of aliphatic aldehydes: Both one-carbon shortening and lengthening via the same intermediate". . . Retrieved 2020/01/13.