2-Bromododecanoic acid

Base Information

• Chemical Name: 2-Bromododecanoic acid
• CAS No.: 111-56-8
• Deprecated CAS: 112139-15-8
• Molecular Formula: C₁₂H₂₃BrO₂
• Molecular Weight: 279.217
• Hs Code.: 2915900090
• European Community (EC) Number: 203-882-7
• NSC Number: 79886
• DSSTox Substance ID: DTXSID60870463
• Nikkaji Number: J193.595J
• Metabolomics Workbench ID: 1705
• Mol file: 111-56-8.mol

Synonyms:2-bromododecanoate;2-bromododecanoic acid

Chemical Property of 2-Bromododecanoic acid

Chemical Property:

• Vapor Pressure: 1.15E-05mmHg at 25°C
• Melting Point: 30-32 °C
• Refractive Index: 1.481
• Boiling Point: 157-159 °C (2 mmHg)
• PKA: 2.97±0.21(Predicted)
• Flash Point: 162.3°C
• PSA: 37.30000
• Density: 1.189g/cm³
• LogP: 4.36530
• Storage Temp.: 2-8°C
• Solubility.: methanol: soluble1g/10 mL, clear, colorless
• XLogP3: 5.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 10
• Exact Mass: 278.08814
• Heavy Atom Count: 15
• Complexity: 160

Purity/Quality:

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

2-Bromododecanoic acid ≥98.0% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCC(C(=O)O)Br
• Uses: 2-Bromododecanoic acid was used in the synthesis of carboxylic amphoteric surfactants containing ether tertiary amino and carboxylic groups. It was also used in the synthesis of C12-lipoamino acid.

Technology Process of 2-Bromododecanoic acid

There total 4 articles about 2-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: 88.0%

lauric acid (143-07-7) → 2-bromododecanoic acid (111-56-8,201417-52-9)

Guidance literature:

With chlorosulfonic acid; bromine; In 1,2-dichloro-ethane; for 30h; Heating;

Reference yield:

2-bromododecanoyl chloride (59117-75-8) → 2-bromododecanoic acid (111-56-8,201417-52-9)

Guidance literature:

With water;

DOI:10.1007/s11743-015-1751-1

Reference yield:

n-dodecanoyl chloride (112-16-3) → 2-bromododecanoic acid (111-56-8,201417-52-9)

Guidance literature:

With bromine; zersetzt die Reaktionsmasse mit heissem Wasser;

upstream raw materials:

lauric acid

n-dodecanoyl chloride

2-bromododecanoyl chloride

Downstream raw materials:

methyl 2-bromododecanoate

ethyl 2-bromododecanoate

(E)-2-dodecenoic acid

2-hydroxydodecanoic acid

Refernces

• 1、 Muramatsu,Tajima. "". . p. 304,311. Retrieved 1966.
• 2、 Syrpas, Michail,Ruysbergh, Ewout,Stevens, Christian V.,De Kimpe, Norbert,Mangelinckx, Sven. "Synthesis and biological evaluation of novel N-α-haloacylated homoserine lactones as quorum sensing modulators". . p. 2539 - 2549. Retrieved 2015/02/19.
• 3、 De Almeida, Paulo Afonso,Da Silva, Tania Maria Sarmento,Echevarria, Aurea. "Mesoionic 5-alkyl-1,3-dithiolium-4-thiolates: Synthesis and brine shrimp toxicity". . p. 593 - 600. Retrieved 2007/10/03.