2623-86-1

Basic information

• Product Name: 3-BROMOBUTYRIC ACID
• Synonyms: 3-BROMOBUTANOIC ACID;3-BROMOBUTYRIC ACID;RARECHEM AL BO 0426;3-Bromobutyricacid,97%;3-BroMobutyric acid, 97% 5GR;3-Bromobutyric acid >=95.0% (GC)
• CAS NO: 2623-86-1
• Molecular Formula: C₄H₇BrO₂
• Molecular Weight: 167
• EINECS: 220-082-3
• Product Categories: Miscellaneous;C1 to C5;Carbonyl Compounds;Carboxylic Acids
• Mol File: 2623-86-1.mol
• Article Data: 6

Chemical Properties

• Melting Point: 44 °C
• Boiling Point: 230.5 °C at 760 mmHg
• Flash Point: 114 °C
• Appearance: clear colorless to yellow liquid
• Density: 1.57 g/mL at 20 °C(lit.)
• Vapor Pressure: 0.0233mmHg at 25°C
• Refractive Index: n20/D 1.476
• PKA: 3.97±0.10(Predicted)
• BRN: 1720574
• CAS DataBase Reference: 3-BROMOBUTYRIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 3-BROMOBUTYRIC ACID(2623-86-1)
• EPA Substance Registry System: 3-BROMOBUTYRIC ACID(2623-86-1)

Safety Data

• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-36/37/39-45
• RIDADR: UN 3265 8/PG 3
• WGK Germany: 3
• F: 13-19
• HazardClass: 8
• PackingGroup: III
• Hazardous Substances Data: 2623-86-1(Hazardous Substances Data)

Usage

Chemical Properties

clear colorless to yellow liquid

Uses

3-Bromobutyric acid was used in the synthesis of β-butyrolactone, monomer for a naturally occurring polyester, D-poly-β-hydroxybutyrate. It was used to investigate the effect of halo acids on the activity of aspartate aminotransferase isoenzymes in their pyridoxamine form. It was also used in the synthesis of optically active β-lactones.

InChI:InChI=1/C4H7BrO2/c1-3(5)2-4(6)7/h3H,2H2,1H3,(H,6,7)/p-1/t3-/m0/s1

Upstream product

• 625-38-7 but-3-enoic acid 
• 4786-20-3 crotononitrile 
• 107-93-7 (E)-but-2-enoic acid 
• 3068-88-0 4-methyloxetan-2-one 
• 10035-10-6 hydrogen bromide 
• 60-29-7 diethyl ether 
• 7732-18-5 water 
• 64-19-7 acetic acid 
• 110-54-3 hexane 
• 122-39-4 diphenylamine 
• 71-43-2 benzene 
• 3724-65-0 2-butenoic acid 
• 623-43-8 methyl crotonate 
• 109-75-1 but-3-enenitrile 

Downstream Products

• 21249-59-2 methyl 3-bromopropionic acid methyl ester 
• 7425-49-2 ethyl 3-bromobutanoate 
• 107-93-7 (E)-but-2-enoic acid 
• 18301-67-2 3-Brom-buttersaeure-trimethylsilylester 
• 10035-10-6 hydrogen bromide 
• 6089-12-9 3-bromo-1-butanol 
• 67262-50-4 3-Brom-2'-ethylbutyranilid 
• 98186-17-5 3-(2-Amino-phenylsulfanyl)-butyric acid 
• 98186-14-2 3-(2-Nitro-phenylsulfanyl)-butyric acid 

Relevant articles and documents

Asymmetric Halogenation and Hydrohalogenation of trans-2-Butenoic Acid in a Crystalline α-Cyclodextrin Complex

trans-2-Butenoic acid was asymmetrically hydrohalogenated and halogenated in a crystalline α-cyclodextrin complex.Exposure to gaseous hydrogen bromide at 20 deg C and to hydrogen chloride at 0 deg C gave (S)-(+)-3-bromobutanoic acid in 58percent and (S)-(-)-3-chlorobutanoic acid in 64percent enantiomeric excesses, respectively.At 45-50 deg C, the guest in the cavity of the cyclodextrin reacted with gaseous bromine or chlorine to produce erythro-dihalides with extremely low optical activities; no products were obtained on treatment with bromine for 50 h at the lower temperatureof 20 deg C.The crystal structure of the complex was determined to be: C36H60O30*C4H6O2*5H2O; FW = 1149.0; orthorhombic; space group, P212121; Z = 4; a = 14.406 (5), b = 38.174 (12), and c = 9.430 (3) Angstroem; V = 5185.9 Angstroem3; Dx = 1.472, Dm = 1.475 g/cm2.A mechanism for the observed chiral induction in the present gas-solid reaction is discussed in terms of the crystal structure of the complex.

COMPOSITIONS USEFUL IN THERAPY OF AUTOPHAGY-RELATED PATHOLOGIES, AND METHODS OF MAKING AND USING THE SAME

Lanthionine ketimine phosphonate (LK-P), lanthionine ketimine ester phosphonate (LKE-P), other lanthionine ketimine, lanthionine ketimine phosphonate, and lanthionine ketimine ester derivatives, and methods of making and using the same, are described.

Intramolecular homolytic substitution of sulfinates and sulfinamides

A general and efficient method for the synthesis of cyclic sulfi-nates and sulfinamides based on intra-molecular homolytic substitution (SHi) at the sulfur atom by aryl or alkyl radi-cals is described. Both alkyl and benzo-fused compounds can be accessed di-rectly from easily prepared acyclic pre-cursors. Enantiomerically enriched sulfur-based heterocycles were formed through an SHi process with inversion of configuration at the sulfur atom. Cyclization of prochiral radicals proceeded with varying stereochemical outcomes, depending on the size of the incoming radical. 2-Pyridyl and 2-qui-nolyl radicals led to biaryl compounds, which result from attack onto the ortho position of the arylsulfinate rather than a thiophilic substitution.