Methyl 2-bromotetradecanoate

Base Information

• Chemical Name: Methyl 2-bromotetradecanoate
• CAS No.: 16631-25-7
• Deprecated CAS: 135312-88-8
• Molecular Formula: C15H29BrO2
• Molecular Weight: 321.298
• Hs Code.: 2915900090
• European Community (EC) Number: 240-687-6
• DSSTox Substance ID: DTXSID00884923
• Nikkaji Number: J318.274F
• Mol file: 16631-25-7.mol

Synonyms:Methyl 2-bromotetradecanoate;16631-25-7;Methyl 2-bromomyristate;Tetradecanoic acid, 2-bromo-, methyl ester;Methyl alpha-Bromo Myristate;EINECS 240-687-6;2-bromotetradecanoic acid methyl ester;Methyl -Bromo Myristate;Methyl ?-Bromo Myristate;Methyl alpha -Bromomyristate;SCHEMBL7760363;DTXSID00884923;MFCD00129744;AKOS015917683;BS-49127;FT-0625937;E77988;A810715;W-110438

Chemical Property of Methyl 2-bromotetradecanoate

Chemical Property:

• Appearance/Colour: Yellow oil
• Vapor Pressure: 0.000468mmHg at 25°C
• Melting Point: < 10oC
• Refractive Index: 1.464
• Boiling Point: 314.4 °C at 760 mmHg
• Flash Point: 159.8 °C
• PSA: 26.30000
• Density: 1.095 g/cm³
• LogP: 5.23390
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Solubility.: Chloroform, Dichloromethane, Ethyl Acetate
• XLogP3: 7.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 13
• Exact Mass: 320.13509
• Heavy Atom Count: 18
• Complexity: 195

Purity/Quality:

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

Methylα-BromoMyristate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCC(C(=O)OC)Br
• Uses: Methyl α-Bromo Myristate (cas# 16631-25-7) is a compound useful in organic synthesis.

Technology Process of Methyl 2-bromotetradecanoate

There total 3 articles about Methyl 2-bromotetradecanoate 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: 92.0%

methanol (67-56-1) + 2-bromomyristic acid (10520-81-7,201417-53-0,135312-82-2) → (+/-)-methyl 2-bromotetradecanoate (16631-25-7,135312-88-8)

Guidance literature:

With chloro-trimethyl-silane; for 16h; Ambient temperature;

DOI:10.1002/ardp.19963291102

Reference yield:

methanol (67-56-1) + tetradecanoyl chloride (112-64-1) → (+/-)-methyl 2-bromotetradecanoate (16631-25-7,135312-88-8)

Guidance literature:

Multistep reaction; (i) (bromination), (ii) /BRN= 1098229/;

Reference yield:

→ (+/-)-methyl 2-bromotetradecanoate (16631-25-7,135312-88-8)

Guidance literature:

Myristinsaeure, 1. SOCl2 (80-100grad), 2. Brom (Iod), 3. sd. Me.;

upstream raw materials:

methanol

tetradecanoyl chloride

2-bromomyristic acid

Refernces

• 1、 Hussain, Rohanah,Toth, Istvan,Gibbons, William A.. "Synthesis and Structure Elucidation of γ-Aminobutyric Acid Conjugates with Lipidic Acids, Lipidic Amino Acids and Lipidic Peptides". . p. 963 - 966. Retrieved 2007/10/02.