9-Bromononanoic acid

Base Information

• Chemical Name: 9-Bromononanoic acid
• CAS No.: 41059-02-3
• Molecular Formula: C9H17BrO2
• Molecular Weight: 237.137
• Hs Code.: 2915900090
• European Community (EC) Number: 929-154-5,676-389-1
• DSSTox Substance ID: DTXSID30338303
• Nikkaji Number: J2.234.158H
• Wikidata: Q72448834
• Metabolomics Workbench ID: 1716
• Mol file: 41059-02-3.mol

Synonyms:9-Bromononanoic acid;41059-02-3;9-bromo-n-nonanoic acid;Nonanoic acid, 9-bromo-;9-bromo-nonanoic acid;MFCD00046564;9-Bromononanoicacid;9-BROMO NONANOIC ACID;SCHEMBL931159;DTXSID30338303;LMFA01090026;STK695269;AKOS005606248;CS-W007587;DS-2706;AM803870;SY026441;B2323;FT-0639693;A26236;EN300-749494;J-519499

Chemical Property of 9-Bromononanoic acid

Chemical Property:

• Vapor Pressure: 8.17E-05mmHg at 25°C
• Melting Point: 39°C
• Refractive Index: 1.485
• Boiling Point: 165°C/3mm
• PKA: 4.78±0.10(Predicted)
• Flash Point: 145.8 °C
• PSA: 37.30000
• Density: 1.282 g/cm³
• LogP: 3.19660
• Storage Temp.: Refrigerator
• Solubility.: Chloroform (Soluble), DMSO (Slightly)
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 8
• Exact Mass: 236.04119
• Heavy Atom Count: 12
• Complexity: 115

Purity/Quality:

98%, ^*data from raw suppliers

9-Bromononanoic Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 34
• Safety Statements: 36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CCCCBr)CCCC(=O)O
• Uses: 9-Bromononanoic Acid is an intermediate in synthesizing Rumenic Acid (R701590), a trans fatty acid that may potentially reduce the risk of cancer and cardiovascular diseases. It may also prevent disease processes that lead to chronic inflammation, atherosclerosis, and diabetes.

Technology Process of 9-Bromononanoic acid

There total 3 articles about 9-Bromononanoic 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: 100.0%

9-bromononan-1-ol (55362-80-6) → 9-bromononanoic acid (41059-02-3)

Guidance literature:

With jones' reagent; In acetone;

DOI:10.1016/S0040-4020(98)01166-1

Reference yield: 77.0%

jones' reagent + 9-bromononan-1-ol (55362-80-6) → 9-bromononanoic acid (41059-02-3)

Guidance literature:

With potassium carbonate; In acetone;

Reference yield:

9-hydroxynonanoic acid (3788-56-5) → 9-bromononanoic acid (41059-02-3)

Guidance literature:

With hydrogen bromide;

upstream raw materials:

9-hydroxynonanoic acid

9-bromononan-1-ol

Downstream raw materials:

(8-carboxyoctyl)triphenylphosphonium bromide

methyl S-phenyl-9-mercaptononanoate

9-(2-Nitro-phenylselanyl)-nonanoic acid methyl ester

methyl non-8-enoate

Refernces

• 1、 Chen, Yi-Ting,Fang, Ming-Yu,Hsiao, Wan-Chi,Huang, Kuan-Hsun,Ke, Yi-Yu,Pan, Pei-Yun,Tsou, Lun K.,Tu, Wei-Ju,Zhang, Mingzi M.. "Chemoproteomic profiling reveals cellular targets of nitro-fatty acids". . . Retrieved 2021/09/14.
• 2、 Kumari, Anupama,Gholap, Sachin P.,Fernandes, Rodney A.. "Tandem IBX-Promoted Primary Alcohol Oxidation/Opening of Intermediate β,γ-Diolcarbonate Aldehydes to (E)-γ-Hydroxy-α,β-enals". . p. 2278 - 2290. Retrieved 2019/06/17.