Methyl 11-methyldodecanoate

Base Information

• Chemical Name: Methyl 11-methyldodecanoate
• CAS No.: 5129-57-7
• Molecular Formula: C14H28O2
• Molecular Weight: 228.375
• Hs Code.: 2915900090
• DSSTox Substance ID: DTXSID70398946
• Nikkaji Number: J47.519J
• Wikidata: Q63393673
• Mol file: 5129-57-7.mol

Synonyms:Methyl 11-methyldodecanoate;5129-57-7;11-Methyldodecanoic acid methyl ester;Methyl 11-methyl-dodecanoate;SCHEMBL17506460;DTXSID70398946;GSRXTORWPQDOOY-UHFFFAOYSA-N;PD078153;9,10,12,13-TETRABROMOSTEARICACID;HY-124433;CS-0086460;FT-0736759;Methyl 11-methyldodecanoate, >=98% (capillary GC);Q63393673

Chemical Property of Methyl 11-methyldodecanoate

Chemical Property:

• Vapor Pressure: 0.00918mmHg at 25°C
• Boiling Point: 265.4oC at 760 mmHg
• Flash Point: 115oC
• PSA: 26.30000
• Density: 0.866g/cm3
• LogP: 4.32630
• Storage Temp.: 2-8°C
• XLogP3: 6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 11
• Exact Mass: 228.208930132
• Heavy Atom Count: 16
• Complexity: 164

Purity/Quality:

98% ^*data from raw suppliers

11-methylLauricAcidmethylester ≥98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Methyl 11-methyldodecanoate

There total 5 articles about Methyl 11-methyldodecanoate 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: 91.0%

methanol (67-56-1) + Isotridecanoic Acid (5681-98-1) → methyl 11-methyldodecanoate (5129-57-7)

Guidance literature:

With boron trifluoride diethyl etherate; at 25 ℃; for 14h;

DOI:10.1002/anie.201611940

Reference yield:

9-decenyl p-toluenesulfonate (66605-77-4) → methyl 11-methyldodecanoate (5129-57-7)

Guidance literature:

Multi-step reaction with 3 steps

1.1: magnesium; iodine / tetrahydrofuran / 1 h / 25 °C

1.2: 14 h / -78 - 25 °C / Inert atmosphere

2.1: sodium periodate; ruthenium trichloride; tetrachloromethane / acetonitrile; water / 2 h / 25 °C

3.1: boron trifluoride diethyl etherate / 14 h / 25 °C

With tetrachloromethane; ruthenium trichloride; sodium periodate; boron trifluoride diethyl etherate; iodine; magnesium; In tetrahydrofuran; water; acetonitrile;

DOI:10.1002/anie.201611940

Reference yield:

9-Decen-1-ol (13019-22-2) → methyl 11-methyldodecanoate (5129-57-7)

Guidance literature:

Multi-step reaction with 4 steps

1.1: pyridine / chloroform / 14 h / 0 - 25 °C

2.1: magnesium; iodine / tetrahydrofuran / 1 h / 25 °C

2.2: 14 h / -78 - 25 °C / Inert atmosphere

3.1: sodium periodate; ruthenium trichloride; tetrachloromethane / acetonitrile; water / 2 h / 25 °C

4.1: boron trifluoride diethyl etherate / 14 h / 25 °C

With pyridine; tetrachloromethane; ruthenium trichloride; sodium periodate; boron trifluoride diethyl etherate; iodine; magnesium; In tetrahydrofuran; chloroform; water; acetonitrile;

DOI:10.1002/anie.201611940

upstream raw materials:

9-decenyl p-toluenesulfonate

9-Decen-1-ol

12-methyltridec-1-ene

methanol

Downstream raw materials:

11-methyldodecanal

11-methyl-1-dodecanol

Refernces