5-Bromovaleric acid

Base Information

• Chemical Name: 5-Bromovaleric acid
• CAS No.: 2067-33-6
• Molecular Formula: C5H9BrO2
• Molecular Weight: 181.029
• Hs Code.: 2915.90
• European Community (EC) Number: 218-185-3
• NSC Number: 53507
• UNII: Z7DY4J7HZR
• DSSTox Substance ID: DTXSID2062163
• Nikkaji Number: J22.500B
• Wikidata: Q72513682
• Mol file: 2067-33-6.mol

Synonyms:5-Bromovaleric acid;2067-33-6;5-BROMOPENTANOIC ACID;Pentanoic acid, 5-bromo-;5-Bromo-n-valeric acid;Valeric acid, 5-bromo-;delta-Bromovaleric acid;.delta.-Bromovaleric acid;Z7DY4J7HZR;EINECS 218-185-3;NSC 53507;NSC-53507;AI3-11743;1-bromo-4-carboxybutane;MFCD00004414;5-bromo valeric acid;5-bromoval eric acid;5-bromo pentanoic acid;5-bromo-pentanoic acid;Valeric acid, 5-bromo;UNII-Z7DY4J7HZR;5-BROMOPENTANOICACID;5-Bromovaleric acid, 97%;SCHEMBL214058;DTXSID2062163;WNXNUPJZWYOKMW-UHFFFAOYSA-;BCP26779;NSC53507;AKOS000120301;AC-1769;AM85660;CS-W017172;AS-13054;B1169;FT-0620181;EN300-20664;B-9250;F2191-0173;Z104479696

Chemical Property of 5-Bromovaleric acid

Chemical Property:

• Appearance/Colour: yellowish to light brown crystals or cryst. powder
• Vapor Pressure: 0.00264mmHg at 25°C
• Melting Point: 38 -40 °C
• Refractive Index: 1.4790 (estimate)
• Boiling Point: 265.5 °C at 760 mmHg
• PKA: 4?+-.0.10(Predicted)
• Flash Point: 114.4 °C
• PSA: 37.30000
• Density: 1.522 g/cm³
• LogP: 1.63620
• Storage Temp.: Store below +30°C.
• Solubility.: 95% ethanol: soluble50mg/mL, clear, colorless to faintly yellow
• Water Solubility.: Soluble in ethanol. Insoluble in water.
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 179.97859
• Heavy Atom Count: 8
• Complexity: 72.8

Purity/Quality:

99% ^*data from raw suppliers

5-Bromovaleric acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi:Irritant
• Statements: R36/37/38:
• Safety Statements: S26:; S36:

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Organic Acids
• Canonical SMILES: C(CCBr)CC(=O)O
• Uses: 5-Bromovaleric acid is used in the synthesis of inhibitors for aminoglycoside resistant bacteria. 5-Bromovaleric acid is also used in the preparation of sequence specific base pair mimics as topoisomerase IB inhibitors. 5-Bromovaleric acid was used in the preparation of:5-(3-dimethylammonio)propylammonio pentanoate bromide via reaction with 1,1-dimethyl-1,3-propylenediaminenanodiamond functionalized by carboxylic acid groupswater-soluble nanoplatelets of potassium graphite

Technology Process of 5-Bromovaleric acid

There total 40 articles about 5-Bromovaleric 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%

5-bromopentanal (1191-30-6) → 5-bromopentanoic acid (2067-33-6)

Guidance literature:

With N-hydroxyphthalimide; oxygen; In acetonitrile; at 30 ℃; for 3h; Schlenk technique;

Reference yield: 88.9%

potassium 5-hydroxypentanoate → 5-bromopentanoic acid (2067-33-6)

Guidance literature:

With sulfuric acid; sodium bromide; In water; at 90 - 95 ℃; for 8h; Temperature; Concentration;

Reference yield: 85.0%

3,4,5,6-tetrahydro-2H-pyran-2-one (542-28-9,26354-94-9) → 5-bromopentanoic acid (2067-33-6)

Guidance literature:

With tetrabutylammomium bromide; hydrogen bromide; In water; for 0.166667h; Microwave irradiation;

DOI:10.1021/op025606h

upstream raw materials:

3,4,5,6-tetrahydro-2H-pyran-2-one

pent-4-enoic acid

valeric acid

5-bromopentan-1-nitrile

Downstream raw materials:

5-bromovaleric acid methyl ester

5-mercaptopentanoic acid

3,4,5,6-tetrahydro-2H-pyran-2-one

4-nitrophenyl 5-bromopentanoate

Refernces

• 1、 Dai, Peng-Fei,Qu, Jian-Ping,Kang, Yan-Biao. "Organocatalyzed Aerobic Oxidation of Aldehydes to Acids". supporting information. p. 1393 - 1396. Retrieved 2019/02/26.
• 2、 Ma, Kun,Li, Pei Xun,Dong, Chu Chuan,Thomas, Robert K.,Penfold, Jeffrey. "Unusual Adsorption at the Air-Water Interface of a Zwitterionic Carboxybetaine with a Large Charge Separation". . p. 3340 - 3347. Retrieved 2016/05/10.