2-Bromostearic acid

Base Information

• Chemical Name: 2-Bromostearic acid
• CAS No.: 142-94-9
• Deprecated CAS: 17108-71-3
• Molecular Formula: C18H35BrO2
• Molecular Weight: 363.379
• Hs Code.: 2915900090
• European Community (EC) Number: 205-573-2
• NSC Number: 58376
• DSSTox Substance ID: DTXSID60883331
• Nikkaji Number: J193.638G
• Metabolomics Workbench ID: 1711
• Mol file: 142-94-9.mol

Synonyms:2-bromostearate;2-bromostearic acid;2-bromostearic acid, 77Br-labeled;2-bromostearic acid, potassium salt

Chemical Property of 2-Bromostearic acid

Chemical Property:

• Vapor Pressure: 1.23E-08mmHg at 25°C
• Melting Point: 58-60 °C
• Refractive Index: 1.479
• Boiling Point: 431 °C at 760 mmHg
• Flash Point: 214.5 °C
• PSA: 37.30000
• Density: 1.088 g/cm³
• LogP: 6.70590
• Storage Temp.: −20°C
• XLogP3: 8.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 16
• Exact Mass: 362.18204
• Heavy Atom Count: 21
• Complexity: 231

Purity/Quality:

99% ^*data from raw suppliers

2-Bromooctadecanoic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCC(C(=O)O)Br

Technology Process of 2-Bromostearic acid

There total 4 articles about 2-Bromostearic acid 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: 63.0%

2-bromo stearic acid bromide → 2-bromostearic acid (142-94-9,17108-71-3)

Guidance literature:

With water; at 70 ℃; for 1h;

DOI:10.1002/ejoc.200900645

Reference yield: 60.0%

stearic acid (57-11-4) → 2-bromostearic acid (142-94-9,17108-71-3)

Guidance literature:

With bromine; at 95 ℃; for 6h;

Reference yield:

bromine (7726-95-6) + stearic acid (57-11-4) → 2-bromostearic acid (142-94-9,17108-71-3)

Guidance literature:

upstream raw materials:

stearic acid

bromine

Downstream raw materials:

2-methyl-octadecanoic acid

ethyl 2-bromostearoate

octadec-2-enoic acid

2-hydroxystearic acid

Refernces

• 1、 Polyakova, Svetlana M.,Belov, Vladimir N.,Yan, Sergey F.,Eggeling, Christian,Ringemann, Christian,Schwarzmann, Guenter,De Meijere, Armin,Hell, Stefan W.. "New GM1 ganglioside derivatives for selective single and double labelling of the natural glycosphingolipid skeleton". . p. 5162 - 5177. Retrieved 2009.
• 2、 Koide, Yoshifumi,Tsujimoto, Keigo,Shosenji, Hideto,Maeda, Mizuo,Takagi, Makoto. "Adsorption of Metal Ions to Surface-Template Resins Prepared with Amphiphilic Styrene Monomers Bearing Amino Carboxylic Acid". . p. 789 - 796. Retrieved 2007/10/03.