12-Bromododecanoic acid

Base Information

• Chemical Name: 12-Bromododecanoic acid
• CAS No.: 73367-80-3
• Molecular Formula: C12H23BrO2
• Molecular Weight: 279.217
• Hs Code.: 2915900090
• European Community (EC) Number: 277-401-4
• NSC Number: 660375
• UNII: RP072ZQ00E
• DSSTox Substance ID: DTXSID1049354
• Nikkaji Number: J309.285B
• Wikidata: Q27093407
• Metabolomics Workbench ID: 1703
• ChEMBL ID: CHEMBL1231458
• Mol file: 73367-80-3.mol

Synonyms:12-bromododecanoic acid;12-bromolauric acid

Chemical Property of 12-Bromododecanoic acid

Chemical Property:

• Vapor Pressure: 2.05E-06mmHg at 25°C
• Melting Point: 52-55 °C(lit.)
• Refractive Index: 1.482
• Boiling Point: 367.8 °C at 760 mmHg
• PKA: 4.78±0.10(Predicted)
• Flash Point: 176.2 °C
• PSA: 37.30000
• Density: 1.191 g/cm³
• LogP: 4.36690
• Storage Temp.: 2-8°C
• Solubility.: chloroform: soluble50mg/mL, clear to slightly hazy, colorless to
• XLogP3: 5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 11
• Exact Mass: 278.08814
• Heavy Atom Count: 15
• Complexity: 149

Purity/Quality:

97% ^*data from raw suppliers

12-Bromododecanoic acid ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C(CCCCCC(=O)O)CCCCCBr
• Uses: 12-Bromododecanoic acid ligand was used as a model fatty acid in the elucidation of the x-ray structure of bovine beta-lactoglobulin.

Technology Process of 12-Bromododecanoic acid

There total 13 articles about 12-Bromododecanoic 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: 95.0%

12-bromododecanol (3344-77-2) → 12-bromododecanoic acid (73367-80-3)

Guidance literature:

With sodium hypochlorite; sodium chlorite; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; In acetonitrile; at 20 ℃;

Reference yield: 91.0%

12-hydroxydodecanoic acid (505-95-3) → 12-bromododecanoic acid (73367-80-3)

Guidance literature:

With hydrogen bromide; acetic anhydride; at 100 ℃; for 3h;

Reference yield:

1,10-dibromodecane (4101-68-2) → 12-bromododecanoic acid (73367-80-3)

Guidance literature:

Multi-step reaction with 2 steps

1: ethanol / Heating

2: aq. HBr / Heating

With hydrogen bromide; In ethanol;

DOI:10.1021/ja00450a031

upstream raw materials:

12-hydroxydodecanoic acid

diethyl (10-bromodecyl)malonate

12-Ethoxy-laurinsaeure

1,12-dodecandiol

Downstream raw materials:

methyl 12-bromododecanoate

1,22-dibromodocosane

dimethyl sebacate

methyl 16-bromohexadecanoate