1731-88-0

Basic information

• Product Name: METHYL TRIDECANOATE
• Synonyms: METHYL TRIDECANOATE;C13:0 METHYL ESTER;Methyl ester of tridecanoic acid;methyl n-tridecanoate;methyln-tridecanoate;TRIDECYLIC ACID METHYL ESTER;TRIDECANOIC ACID METHYL ESTER;N-TRIDECANOIC ACID METHYL ESTER
• CAS NO: 1731-88-0
• Molecular Formula: C₁₄H₂₈O₂
• Molecular Weight: 228.37
• EINECS: 217-054-8
• Mol File: 1731-88-0.mol
• Article Data: 34

Chemical Properties

• Melting Point: 5.5 °C(lit.)
• Boiling Point: 131 °C4 mm Hg(lit.)
• Flash Point: 113 °C
• Appearance: Clear colorless/Liquid
• Density: 0.864 g/mL at 25 °C(lit.)
• Vapor Pressure: 0.00217mmHg at 25°C
• Refractive Index: n20/D 1.435(lit.)
• Storage Temp.: −20°C
• Solubility: Chloroform, Methanol
• BRN: 1769695
• CAS DataBase Reference: METHYL TRIDECANOATE(CAS DataBase Reference)
• NIST Chemistry Reference: METHYL TRIDECANOATE(1731-88-0)
• EPA Substance Registry System: METHYL TRIDECANOATE(1731-88-0)

Safety Data

• Hazard Codes: Xi
• Statements: 41
• Safety Statements: 26-39
• WGK Germany: 3
• RTECS: YD3950000
• Hazardous Substances Data: 1731-88-0(Hazardous Substances Data)

Usage

Description

METHYL TRIDECANOATE, also known as the methyl ester of tridecanoic acid, is a clear colorless liquid with unique chemical properties. It is an organic compound that serves as an intermediate in various applications and is derived from the methanol extract of Abelmoschus manihot (Malvaceae) leaves.

Uses

1. Used in Organic Synthesis:
METHYL TRIDECANOATE is used as an intermediate in the synthesis of various organic compounds for [application reason] its ability to facilitate chemical reactions and contribute to the formation of desired products.
2. Used in Biochemical Research:
METHYL TRIDECANOATE is used as a biochemical research tool for [application reason] its potential to aid in understanding biological processes and the development of new compounds or drugs.
3. Used as a Reference Standard in Gas Chromatography:
METHYL TRIDECANOATE is used as a reference standard in gas chromatography for [application reason] its ability to provide a benchmark for comparison and ensure accurate analysis of other compounds in the process.
4. Used in Pharmaceutical Industry:
METHYL TRIDECANOATE is used as a potential anti-inflammatory agent in the pharmaceutical industry for [application reason] its ability to be isolated from natural sources and exhibit potential anti-inflammatory activity.
5. Used in the Abelmoschus manihot (Malvaceae) Industry:
METHYL TRIDECANOATE is used as a valuable compound derived from the leaves of Abelmoschus manihot (Malvaceae) for [application reason] its potential applications in various industries, including pharmaceuticals and organic synthesis, due to its unique properties and origin.

InChI:InChI=1/C14H28O2/c1-3-4-5-6-7-8-9-10-11-12-13-14(15)16-2/h3-13H2,1-2H3

Upstream product

• 67-56-1 methanol 
• 112-41-4 1-dodecene 
• 201230-82-2 carbon monoxide 
• 629-59-4 tetradecane 
• 186581-53-3 diazomethane 
• 638-53-9 tridecanoic acid 
• 60488-42-8 Flexirubin-dimethylether 
• 112-54-9 Dodecanal 
• 4175-47-7 methyl α-eleostearate 
• 1731-86-8 methyl undecanoate 
• 5927-18-4 trimethyl phosphonoacetate 
• 867-13-0 diethoxyphosphoryl-acetic acid ethyl ester 
• 81236-32-0 tridecanal dimethyl dithioacetal S,S-dioxide 
• 143-15-7 1-dodecylbromide 

Downstream Products

• 24323-31-7 2-methyltridecanoic acid 
• 55955-78-7 methyl 2-methyltridecanoate 
• 112-53-8 1-dodecyl alcohol 
• 99651-65-7 (S)-dodecylglycerol 
• 51323-71-8 dodecyl mesylate 
• 112-70-9 tridecan-1-ol 
• 637766-82-6 (1,1-2H2)1-iodotridecane 

Relevant articles and documents

Sterically hindered (pyridyl)benzamidine palladium(II) complexes: Syntheses, structural studies, and applications as catalysts in the methoxycarbonylation of olefins

Reactions of ligands (E)-N′-(2,6-diisopropylphenyl)-N-(4-methylpyridin-2-yl)benzimidamide (L1), (E)-N′-(2,6-diisopropylphenyl)-N-(6-methylpyridin-2-yl)benzimidamide (L2), (E)-N′-(2,6-dimethylphenyl)-N-(6-methylpyridin-2-yl)benzimidamide (L3), (E)-N′-(2,6-dimethylphenyl)-N-(4-methylpyridin-2-yl)benzimidamide (L4), and (E)-N-(6-methylpyridin-2-yl)-N′-phenylbenzimidamide (L5) with [Pd(NCMe)2Cl2] furnished the corresponding palladium(II) precatalysts (Pd1–Pd5), in good yields. Molecular structures of Pd2 and Pd3 revealed that the ligands coordinate in a N^N bidentate mode to afford square planar compounds. Activation of the palladium(II) complexes with para-tolyl sulfonic acid (PTSA) afforded active catalysts in the methoxycarbonylation of a number of alkene. The resultant catalytic activities were controlled by the both the complex structure and alkene substrate. While aliphatic substrates favored the formation of linear esters (>70%), styrene substrate resulted in the formation of predominantly branched esters of up to 91%.

Method for preparing organic carboxylic ester through combined catalysis of aryl bidentate phosphine ligand

The invention discloses a method for preparing organic carboxylic ester by combined catalysis of an aryl bidentate phosphine ligand. The method comprises the following steps: under the action of a palladium compound/aryl bidentate phosphine ligand/acidic additive combined catalyst, carrying out a hydrogen esterification reaction on terminal olefin, carbon monoxide and alcohol so as to generate theorganic carboxylic ester with one more carbon than olefin. According to the invention, by adoption of the palladium compound/aryl bidentate phosphine ligand/acidic additive combined catalyst, good catalytic activity and selectivity for the hydrogen esterification reaction of the olefin are achieved, and olefin carbonylation to synthesize organic carboxylic ester can be efficiently catalyzed. Thearyl bidentate phosphine ligand has a rigid skeleton structure of a rigid ligand and the flexibility of a flexible ligand, so the aryl bidentate phosphine ligand has proper flexibility due to the characteristic that the aryl bidentate phosphine ligand is soft and rigid, and a most favorable coordination mode and a stable active structure in space are favorably formed. In addition, the aryl bidentate phosphine ligand has the advantages of high stability, simple and convenient synthesis method and the like; and a novel industrial technology is provided for production of organic carboxylate compounds.

Structure determination of fatty acid ester biofuels via in situ cryocrystallisation and single crystal X-ray diffraction

In situ cryocrystallisation in combination with a zone-melting technique enabled the crystal structure determination of a homologous series of low-melting n-alkyl methyl esters Cn-1H2n+1CO2CH3, from methyl pentanoate (n = 5) to methyl tridecanoate (n = 13), by single crystal X-ray diffraction. Two isostructural groups were identified: the odd-numbered triclinic members (C9,11,13) and the even-numbered orthorhombic members (C8,10,12). All observed structural trends, similarities and differences in intermolecular contacts, including the odd-even effect observable in melting point behaviour and unit cell parameters, were easily visualised and described by 2D fingerprint plots generated from the calculated Hirshfeld surfaces, in combination with atom-atom Coulomb-London-Pauli (AA-CLP) lattice energy calculations.