(S)-2-Bromooctanoic acid

Base Information

• Chemical Name: (S)-2-Bromooctanoic acid
• CAS No.: 2623-82-7
• Molecular Formula: C8H15BrO2
• Molecular Weight: 223.11
• Hs Code.: 2915900090
• DSSTox Substance ID: DTXSID50949096
• Nikkaji Number: J1.343.979F
• Wikidata: Q72448857
• Mol file: 2623-82-7.mol

Synonyms:(S)-2-bromo-octanoic acid;SCHEMBL2721068;DTXSID50949096;GTGTXZRPJHDASG-ZETCQYMHSA-N;EINECS 220-079-7;D88671

Chemical Property of (S)-2-Bromooctanoic acid

Chemical Property:

• Appearance/Colour: COLORLESS TO YELLOW LIQUID
• Vapor Pressure: 0.000941mmHg at 25°C
• Refractive Index: n20/D 1.471(lit.)
• Boiling Point: 281.4 °C at 760 mmHg
• PKA: 2.97±0.21(Predicted)
• Flash Point: 124 °C
• PSA: 37.30000
• Density: 1.321 g/cm³
• LogP: 2.80490
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 222.02554
• Heavy Atom Count: 11
• Complexity: 115

Purity/Quality:

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

2-Bromooctanoic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCCCC(C(=O)O)Br
• Isomeric SMILES: CCCCCC[C@@H](C(=O)O)Br

Technology Process of (S)-2-Bromooctanoic acid

There total 8 articles about (S)-2-Bromooctanoic 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: 67.0%

Octanoic acid (124-07-2) → 2-bromooctanoic acid (2623-82-7,70610-87-6)

Guidance literature:

With thionyl chloride; bromine; sodium hydroxide; at 20 ℃; Reflux;

DOI:10.3762/bjoc.10.265

Reference yield:

(2-Bromo-octyloxy)-trimethyl-silane (78389-69-2) → 2-bromooctanoic acid (2623-82-7,70610-87-6)

Guidance literature:

With chromium(VI) oxide; sulfuric acid; In dichloromethane; at 0 ℃; for 0.75h; Yield given;

DOI:10.1016/S0040-4039(01)90340-5

Reference yield:

2-aminooctanoic acid (644-90-6,2187-07-7) → 2-bromooctanoic acid (2623-82-7,70610-87-6)

Guidance literature:

With hydrogen bromide; sodium nitrite; In water;

DOI:10.1021/ja510603w

upstream raw materials:

Octanoic acid

(2-Bromo-octyloxy)-trimethyl-silane

n-octanoic acid chloride

1,2-Epoxyoctane

Downstream raw materials:

ethyl-2-bromooctanoate

7,8-dicarboxytetradecane

1-undecene

1,21-docosadiene

Refernces

• 1、 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.
• 2、 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.