4-Bromobutyric acid

Base Information

• Chemical Name: 4-Bromobutyric acid
• CAS No.: 2623-87-2
• Deprecated CAS: 671195-28-1,2131799-72-7
• Molecular Formula: C4H7BrO2
• Molecular Weight: 167.002
• Hs Code.: 2915.90
• European Community (EC) Number: 220-083-9
• NSC Number: 99322
• UNII: 4PG7LM4DBF
• DSSTox Substance ID: DTXSID8052699
• Nikkaji Number: J192.135E
• Wikidata: Q27449944
• ChEMBL ID: CHEMBL1229543
• Mol file: 2623-87-2.mol

Synonyms:4-Bromobutyric acid;4-Bromobutanoic acid;2623-87-2;Butanoic acid, 4-bromo-;4-Bromo-n-butyric acid;Butyric acid, 4-bromo-;Carboxypropyl bromide;MFCD00002817;EINECS 220-083-9;NSC 99322;NSC-99322;gamma-Bromobutyric acid;4-Bromobutyricacid;4-Bromobutanoicacid;4-Bromo-butyricacid;4-bromo-butyric acid;4-bromo-butanoic acid;4 -bromo-butyric acid;.gamma.-Bromobutyric acid;4PG7LM4DBF;4-Bromobutyric acid, 98%;SCHEMBL26511;CHEMBL1229543;DTXSID8052699;GRHQDJDRGZFIPO-UHFFFAOYSA-;NSC99322;STR02336;STL299662;AKOS009031418;AC-6279;CS-W016047;BP-21450;SY001501;A5215;B1279;FT-0617878;EN300-20415;Q-200447;Q27449944

Chemical Property of 4-Bromobutyric acid

Chemical Property:

• Appearance/Colour: slightly yellow solid
• Vapor Pressure: 0.00763mmHg at 25°C
• Melting Point: 31 - 33 °C
• Refractive Index: 1.4730 (estimate)
• Boiling Point: 248.7 °C at 760 mmHg
• PKA: 4.51±0.10(Predicted)
• Flash Point: 111.3 °C
• PSA: 37.30000
• Density: 1.631 g/cm³
• LogP: 1.24610
• Storage Temp.: 2-8°C
• Sensitive.: Light Sensitive
• Water Solubility.: Soluble in water and dilute alkali.
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 165.96294
• Heavy Atom Count: 7
• Complexity: 62.7

Purity/Quality:

99% ^*data from raw suppliers

4-Bromobutyric Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-36/37/39-45-28A

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CC(=O)O)CBr
• Uses: 4-Bromobutyric acid is used as a bifunctional cross-linker and as a pharmaceutical intermediate. It is also used to synthesize 4-Bromobutyryl chloride.

Technology Process of 4-Bromobutyric acid

There total 16 articles about 4-Bromobutyric 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: 89.0%

bromopentene (1119-51-3) → bromobutyric acid (2623-87-2)

Guidance literature:

With jones reagent; osmium(VIII) oxide; In water; acetone; for 20h; Ambient temperature;

DOI:10.1021/jo00069a047

Reference yield: 87.0%

4-butanolide (96-48-0) → bromobutyric acid (2623-87-2)

Guidance literature:

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

DOI:10.1021/op025606h

Reference yield: 67.0%

cyclopropanecarboxylic acid (1759-53-1) → bromobutyric acid (2623-87-2)

Guidance literature:

With water; boron tribromide; In dichloromethane; at 23 ℃; for 46h; regioselective reaction;

DOI:10.1039/d0sc02567d

upstream raw materials:

4-phenyloxybutanoic acid

but-3-enoic acid

4-ethoxybutanoic acid

4-(4-nitrophenoxy)butanoic acid

Downstream raw materials:

Trimethylmethoxysilane

morpholinium hydrobromide

4-bromo-1,1-dimethoxybutane

tert-butyl 4-bromobutyrate

Refernces

• 1、 Raevskii,K.S. et al.. "-". . . Retrieved 1976.
• 2、 Ichikawa, Tsukasa,Wako, Tsuyoshi,Nemoto, Nobukatsu. "Synthesis of polysiloxane-based quaternized imidazolium salts with a hydroxy group at the end of alkyl groups". . p. 1 - 8. Retrieved 2015/12/18.