8-Bromooctanoic acid

Base Information

• Chemical Name: 8-Bromooctanoic acid
• CAS No.: 17696-11-6
• Molecular Formula: C8H15BrO2
• Molecular Weight: 223.11
• Hs Code.: 29159000
• European Community (EC) Number: 605-788-5
• DSSTox Substance ID: DTXSID40338314
• Nikkaji Number: J236.454I
• Wikidata: Q72448862
• Mol file: 17696-11-6.mol

Synonyms:8-Bromooctanoic acid;17696-11-6;8-Bromocaprylic acid;Octanoic acid, 8-bromo-;8-bromo octanoic acid;8-BROMO-N-OCTANOIC ACID;MFCD00004430;8-Bromooctanoicacid;8-bromo-octanoic acid;8-Bromooctanoic acid, 97%;SCHEMBL329076;DTXSID40338314;AMY31536;BR1099;AKOS015836155;CS-W007700;AC-16341;AS-12133;BP-31087;B1675;FT-0637589;EN300-85284;J-200082;SH6

Chemical Property of 8-Bromooctanoic acid

Chemical Property:

• Appearance/Colour: off-white powder
• Vapor Pressure: 0.0032mmHg at 25°C
• Melting Point: 35-37 °C(lit.)
• Refractive Index: 1.4613 (estimate)
• Boiling Point: 316 °C at 760 mmHg
• PKA: 4.77±0.10(Predicted)
• Flash Point: 136.8 °C
• PSA: 37.30000
• Density: 1.324 g/cm³
• LogP: 2.80650
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility.: Slightly soluble in water.
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 222.02554
• Heavy Atom Count: 11
• Complexity: 104

Purity/Quality:

98%, ^*data from raw suppliers

8-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: C(CCCC(=O)O)CCCBr
• Uses: 8-Bromooctanoic acid is used in the synthesis of 8-(N-Methyl-4,4'-bipyridinyl)- octanoic acid. 8-Mercaptooctanoic acid was prepared from 8-bromooctanoic acid.

Technology Process of 8-Bromooctanoic acid

There total 24 articles about 8-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: 97.7%

Ethyl 8-bromooctanoate (29823-21-0) → 8-bromooctanoic acid (17696-11-6)

Guidance literature:

Ethyl 8-bromooctanoate; With water; sodium hydroxide; at 45 ℃; for 2h;

With hydrogenchloride; In water;

DOI:10.1007/s00044-011-9879-7

Reference yield: 95.0%

8-bromooctanol (50816-19-8) → 8-bromooctanoic acid (17696-11-6)

Guidance literature:

With Jones reagent; In acetone; at 0 - 20 ℃; for 0.5h; Inert atmosphere;

DOI:10.1021/acs.orglett.0c00830

Reference yield: 95.0%

8-bromo-octanoic acid 2-methoxy-ethoxymethyl ester → 8-bromooctanoic acid (17696-11-6)

Guidance literature:

With carbon tetrabromide; In isopropyl alcohol; for 1.5h; Heating;

DOI:10.1016/S0040-4020(01)00062-X

upstream raw materials:

6-bromohexyl malonic acid diethyl ester

1-bromo-6-hexanol

sodium diethylmalonate

1,8-Octanediol

Downstream raw materials:

Stearolic acid

1,14-dibromotetradecane

dimethyl sebacate

methyl 16-bromohexadecanoate