Conditions | Yield |
---|---|
With benzene-1,2-dicarboxylic acid for 0.75h; microwave irradiation; | 95% |
With hydrogen bromide |
tert-butyl 3-bromopropionate
3-Bromopropionic acid
Conditions | Yield |
---|---|
With KSF clay In acetonitrile for 4h; Heating; | 89% |
Conditions | Yield |
---|---|
With hydrogen bromide In water for 4h; Reflux; | 82% |
With hydrogen bromide | |
With hydrogen bromide |
Conditions | Yield |
---|---|
With tetrabutyl phosphonium bromide at 160℃; under 760.051 Torr; for 20h; | 79% |
With tetrabutyl phosphonium bromide In melt at 160℃; under 760.051 Torr; for 20h; |
Conditions | Yield |
---|---|
With jones reagent at 0℃; | 75% |
With tert.-butylnitrite; N-hydroxyphthalimide; oxygen In acetonitrile at 80℃; for 48h; Schlenk technique; | 20% |
With nitric acid |
propionic acid
3-Bromopropionic acid
Conditions | Yield |
---|---|
With hydrogenchloride; oxygen; potassium bromide; sodium nitrite In chloroform; water at 40℃; for 18h; Sealed tube; Irradiation; Schlenk technique; | 68% |
propionic acid
A
3-Bromopropionic acid
B
chloropropionic acid
C
2-Bromopropionic acid
D
(R,S)-2-chloropropionic acid
Conditions | Yield |
---|---|
With hydrogenchloride; oxygen; potassium bromide; sodium nitrite In chloroform; water at 40℃; under 760.051 Torr; for 18h; Sealed tube; Irradiation; | A 65% B n/a C 23% D n/a |
n-butyl magnesium bromide
β-Propiolactone
A
3-Bromopropionic acid
B
oenanthic acid
Conditions | Yield |
---|---|
With copper(I) bromide In diethyl ether at -5℃; for 1h; | A 60% B 30% |
With copper(I) bromide In tetrahydrofuran at -5℃; for 1h; | A 40% B 44% |
β-Propiolactone
4-(tert-butyldiphenylsilyloxy)-1-butyne
A
3-Bromopropionic acid
B
7-(tert-butyldiphenylsilyloxy)hept-4-ynoic acid
Conditions | Yield |
---|---|
With n-butyllithium; dimethylaluminum chloride In toluene at -35℃; for 3h; Inert atmosphere; | A 15% B 38% |
4-pentynoic acid
(2-bromoethoxy)(tert-butyl)diphenylsilane
A
3-Bromopropionic acid
B
7-(tert-butyldiphenylsilyloxy)hept-4-ynoic acid
Conditions | Yield |
---|---|
With N,N,N,N,N,N-hexamethylphosphoric triamide; n-butyllithium at -35℃; Inert atmosphere; | A 15% B 29% |
Conditions | Yield |
---|---|
With diethyl ether at -6 - 0℃; |
Conditions | Yield |
---|---|
With water; sodium bromide at 25℃; | |
With water; hydrogen bromide |
Conditions | Yield |
---|---|
With bromine |
3-bromopropanal
3-Bromopropionic acid
Conditions | Yield |
---|---|
With nitric acid |
carbon tetrabromide
propionic acid
A
3-Bromopropionic acid
B
2-Bromopropionic acid
Conditions | Yield |
---|---|
at 150 - 180℃; | |
at 150 - 180℃; |
Conditions | Yield |
---|---|
With hydrogen bromide at 100℃; | |
With hydrogen bromide at 12℃; |
Conditions | Yield |
---|---|
With hydrogen bromide |
Conditions | Yield |
---|---|
With nitrosyl bromide | |
With hydrogen bromide; nitrosyl bromide at 25℃; |
3,12-bis(3'-bromo-1'-oxopropyl)-3,12-diaza-6,9-diazoniadispiro<5.2.5.2>hexadecane dichloride
A
3-Bromopropionic acid
B
chloropropionic acid
C
3,12-bis(3'-chloro-1'-oxopropyl)-3,12-diaza-6,9-diazoniadispiro<5.2.5.2>hexadecane dibromide
D
3,12-Bisacrylyl-3,12-diaza-6,9-diazoniadispiro<5,2,5,2>hexadecane dichloride
E
3,12-bis(3'-hydroxy-1'-oxopropyl)-3,12-diaza-6,9-diazoniadispiro<5.2.5.2>hexadecane dichloride
F
3-hydroxypropionic acid
Conditions | Yield |
---|---|
In water at 70℃; for 5h; Product distribution; Kinetics; Rate constant; various time; other temperature; |
4'-nitrophenyl 3-bromopropionate
A
3-Bromopropionic acid
B
p-nitrophenolate
Conditions | Yield |
---|---|
With hydroxide; sodium chloride at 27℃; Product distribution; other p-nitrophenyl esters, dependence of the rate constant on the Taft polar substituent constant, correlation of the reactivity of N-acetyl-L-cysteine and of hydroxide, solvent isotope effect; | |
With hydroxide; sodium chloride at 37℃; Rate constant; Kinetics; Thermodynamic data; Ea, ΔH(ex), ΔS(ex); |
3-Bromo-propionic acid 1-(2-isothiocyanato-ethoxy)-ethyl ester
A
3-Bromopropionic acid
B
1-bromo-3-aza-4-oxo-5-thiaoctanoic acid
Conditions | Yield |
---|---|
With water at 20℃; for 4h; |
hydrogen bromide
3-Hydroxypropionitrile
3-Bromopropionic acid
hydrogen bromide
3-amino propanoic acid
3-Bromopropionic acid
Conditions | Yield |
---|---|
bei Zimmertemperatur; |
Conditions | Yield |
---|---|
With diethyl ether |
3-Bromopropionic acid
Conditions | Yield |
---|---|
With tetrachloromethane; bromine |
acetic acid-(1-chloro-allyl ester)
hydrogen bromide
A
3-Bromopropionic acid
Conditions | Yield |
---|---|
folgenden Oxydieren mit konz. HNO3; |
3-Bromopropionic acid
3-Bromopropionyl chloride
Conditions | Yield |
---|---|
With oxalyl dichloride; N,N-dimethyl-formamide In dichloromethane at 20℃; for 16h; | 100% |
With thionyl chloride for 8h; Inert atmosphere; Reflux; | 80% |
With thionyl chloride for 1h; Heating; | 71% |
3-Bromopropionic acid
2-Mercaptobenzothiazole
3-(benzothiazol-2-ylthio)propionic acid
Conditions | Yield |
---|---|
Stage #1: 2-Mercaptobenzothiazole With potassium carbonate In tetrahydrofuran for 0.166667h; Inert atmosphere; Stage #2: 3-Bromopropionic acid In tetrahydrofuran at 20℃; Inert atmosphere; | 100% |
With potassium hydroxide In ethanol for 3h; Heating; | 83% |
3-Bromopropionic acid
3-phenoxyaniline
3-phenoxyaniline-3'-bromopropionamide
Conditions | Yield |
---|---|
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 20℃; for 0.5h; | 100% |
With dmap; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide In dichloromethane at 20℃; for 0.5h; |
3-Bromopropionic acid
3-azidopropanoic acid
Conditions | Yield |
---|---|
With sodium azide In water | 100% |
With sodium azide In acetonitrile at 85℃; for 5h; | 90% |
With sodium azide In N,N-dimethyl-formamide for 4h; Reflux; | 89% |
3-Bromopropionic acid
endo-N-hydroxy-5-norbornene-2,3-dicarboxyimide
N-hydroxy-5-norbornene-2,3-dicarboximide bromopropanoate
Conditions | Yield |
---|---|
With dmap; dicyclohexyl-carbodiimide | 99% |
With dmap; dicyclohexyl-carbodiimide In dichloromethane at 20℃; for 16h; |
3-Bromopropionic acid
3-bromopropionic anhydride
Conditions | Yield |
---|---|
With dicyclohexyl-carbodiimide In dichloromethane at 20℃; Inert atmosphere; Glovebox; | 99% |
3-Bromopropionic acid
para-bromobenzenethiol
3-(4-Bromophenylsulfanyl)propanoic Acid
Conditions | Yield |
---|---|
With sodium hydroxide; sodium carbonate In water | 99% |
With sodium hydroxide In water |
3-Bromopropionic acid
6-fluoro-2-mercaptoquinazolin-4(3H)-one
3-((6-fluoro-4-oxo-3,4-dihydroquinazolin-2-yl)thio)propanoic acid
Conditions | Yield |
---|---|
With potassium carbonate In N,N-dimethyl-formamide; acetonitrile at 20℃; for 16h; | 99% |
3-Bromopropionic acid
2-bromo-5-fluorobenzene-1-thiol
Conditions | Yield |
---|---|
Stage #1: 2-bromo-5-fluorobenzene-1-thiol With sodium hydroxide In water at 20℃; for 0.166667h; Stage #2: 3-Bromopropionic acid With potassium carbonate In water at 20℃; for 120h; | 99% |
3-Bromopropionic acid
bis<2-(n-hexadecanoyloxycarbonyl)ethyl>amine
3-bromopropionylbis<2-(n-hexadecanoyloxycarbonyl)ethyl>amine
Conditions | Yield |
---|---|
With dicyclohexyl-carbodiimide In chloroform for 1h; Ambient temperature; | 98% |
3-Bromopropionic acid
3-carboxy-2-mercaptopyridine
3-(3-carboxy-2-pyridylthio)propionic acid
Conditions | Yield |
---|---|
With potassium hydroxide; sodium hydrogencarbonate at 60℃; for 4h; Substitution; | 98% |
Conditions | Yield |
---|---|
In toluene for 5h; Reflux; | 98% |
3-Bromopropionic acid
Conditions | Yield |
---|---|
With potassium carbonate In N,N-dimethyl-formamide at 50℃; | 98% |
Conditions | Yield |
---|---|
With 1,8-diazabicyclo[5.4.0]undec-7-ene In N,N-dimethyl-formamide at 0 - 20℃; Inert atmosphere; | 98% |
3-Bromopropionic acid
methyl (2S)-2-bromopropanoate
Conditions | Yield |
---|---|
With hydrogenchloride; hydrogen bromide In water | 96.7% |
With pyridine | 95.6% |
3-Bromopropionic acid
3-(benzyloxy)aniline
N-(3-(benzyloxy)phenyl)-3-bromopropanamide
Conditions | Yield |
---|---|
With dmap; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide In dichloromethane at 20℃; for 0.5h; | 96% |
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 20℃; for 0.5h; | 96% |
3-Bromopropionic acid
4-amino-1-phenethyl-1H-pyrazole-3-carboxylic acid methyl ester
4-(3-bromopropionylamino)-1-phenethyl-1H-pyrazole-3-carboxylic acid methyl ester
Conditions | Yield |
---|---|
Stage #1: 3-Bromopropionic acid With diisopropyl-carbodiimide In tetrahydrofuran for 0.5h; Stage #2: 4-amino-1-phenethyl-1H-pyrazole-3-carboxylic acid methyl ester In tetrahydrofuran Inert atmosphere; | 96% |
Stage #1: 3-Bromopropionic acid With diisopropyl-carbodiimide In tetrahydrofuran for 0.5h; Stage #2: 4-amino-1-phenethyl-1H-pyrazole-3-carboxylic acid methyl ester In tetrahydrofuran for 3h; | 96% |
Conditions | Yield |
---|---|
at 140℃; | 96% |
3-Bromopropionic acid
tert-butylisonitrile
phenylglyoxal hydrate
meso-1,2-diphenyl-1,2-diaminoethane
Conditions | Yield |
---|---|
Stage #1: phenylglyoxal hydrate; meso-1,2-diphenyl-1,2-diaminoethane In methanol at 20℃; for 0.166667h; Ugi Condensation; Stage #2: 3-Bromopropionic acid; tert-butylisonitrile In methanol for 24h; diastereoselective reaction; | 96% |
3-Bromopropionic acid
Dioctadecylamine
3-bromopropionyldi-n-octadecyalmine
Conditions | Yield |
---|---|
With dicyclohexyl-carbodiimide In benzene for 3h; Ambient temperature; | 95% |
3-Bromopropionic acid
9-Propyl-2-phenylimidazo<1,2-a>benzimidazole
13-Propyl-6,7-dihydro-5-oxobenzocyclohepten<5',6':4,5>imidazo<1,2-a>benzimidazole
Conditions | Yield |
---|---|
With PPA at 100 - 120℃; for 4h; | 95% |
3-Bromopropionic acid
9-Butyl-2-phenylimidazo<1,2-a>benzimidazole
13-Butyl-6,7-dihydro-5-oxobenzocyclohepten<5',6':4,5>imidazo<1,2-a>benzimidazole
Conditions | Yield |
---|---|
With PPA at 100 - 120℃; for 4h; | 95% |
3-Bromopropionic acid
9-methyl-2-phenyl-9H-benzo[d]imidazo[1,2-a]imidazole
13-Methyl-6,7-dihydro-5-oxobenzocyclohepten<5',6':4,5>imidazo<1,2-a>benzimidazole
Conditions | Yield |
---|---|
With PPA at 100 - 120℃; for 4h; | 95% |
3-Bromopropionic acid
9-Ethyl-2-phenylimidazo<1,2-a>benzimidazole
13-Ethyl-6,7-dihydro-5-oxobenzocyclohepten<5',6':4,5>imidazo<1,2-a>benzimidazole
Conditions | Yield |
---|---|
With PPA at 100 - 120℃; for 4h; | 95% |
3-Bromopropionic acid
6,7-dimethyl-2-phenyl-9-ethylimidazo<1,2-a>benzimidazole
10,11-Dimethyl-13-ethyl-6,7-dihydro-5-oxobenzocyclohepten<5',6':4,5>imidazo<1,2-a>benzimidazole
Conditions | Yield |
---|---|
With PPA at 100 - 120℃; for 4h; | 95% |
3-Bromopropionic acid
3-sulfopropanoic acid
Conditions | Yield |
---|---|
With sodium sulfite In water; acetone at 80℃; Inert atmosphere; | 95% |
With sodium sulfite In water at 110℃; for 12h; Strecker sulfite alkylation; |
Conditions | Yield |
---|---|
With toluene-4-sulfonic acid In para-xylene for 3h; Reflux; | 95% |
With zinc perchlorate; magnesium sulfate for 5h; Reflux; |
Conditions | Yield |
---|---|
With toluene-4-sulfonic acid In para-xylene for 3h; Reflux; | 95% |
With zinc perchlorate; magnesium sulfate for 5h; Reflux; |
3-Bromopropionic acid
N-phenylhydrazinecarboselenoamide
Conditions | Yield |
---|---|
With trichlorophosphate at 60 - 80℃; for 3h; Temperature; Reagent/catalyst; | 95% |
In trichlorophosphate at 50 - 80℃; |
The IUPAC name of 3-Bromopropionic acid is 3-bromopropanoic acid. With the CAS registry number 590-92-1, it is also named as 2-Carboxyethyl bromide. The product's categories are Aromatic Propionic Acids; Organic Acids; Pyridines Derivates; Omega-Bromocarboxylic Acids; Omega-Functional Alkanols, Carboxylic Acids, Amines & Halides; C1 to C5; Carbonyl Compounds; Carboxylic Acids. Besides, it is white to pale yellow or orange crystal, which should be stored in sealed containers in a cool, dry place at 2-8 °C. In addition, its molecular formula is C3H5BrO2 and molecular weight is 152.97.
The other characteristics of this product can be summarized as: (1)EINECS: 209-694-1; (2)ACD/LogP: 0.69; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): -0.82; (5)ACD/LogD (pH 7.4): -2.55; (6)ACD/BCF (pH 5.5): 1; (7)ACD/BCF (pH 7.4): 1; (8)ACD/KOC (pH 5.5): 1.75; (9)ACD/KOC (pH 7.4): 1; (10)#H bond acceptors: 2; (11)#H bond donors: 1; (12)#Freely Rotating Bonds: 2; (13)Index of Refraction: 1.499; (14)Molar Refractivity: 25.24 cm3; (15)Molar Volume: 85.8 cm3; (16)Surface Tension: 47.5 dyne/cm; (17)Density: 1.781 g/cm3; (18)Flash Point: 98.7 °C; (19)Melting Point: 57-63 °C; (20)Water Solubility: 0.1 g/mL; (21)Enthalpy of Vaporization: 52.47 kJ/mol; (22)Boiling Point: 239.5 °C at 760 mmHg; (23)Vapour Pressure: 0.0134 mmHg at 25 °C.
Preparation of 3-Bromopropionic acid: please add Acrylonitrile to boiling Hydrobromic acid to react for 6 hours at the temperature of 130 °C. And then use Ethanol to extract the solid after filtration. At last, you would obtain this chemical by reduced pressure distillation.
Uses of 3-Bromopropionic acid: this chemical can be used in organic synthesis. Additionally, it can react with Methanol to get 3-Bromo-proπonic acid methyl ester.
This reaction needs SOCl2 at temperature of 20 °C for 12 hours. The yield is 81 %.
When you are using this chemical, please be cautious about it as the following: it is highly flammable that may cause burns. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. And you should wear suitable protective clothing, gloves and eye/face protection. Moreover, in case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
People can use the following data to convert to the molecule structure.
(1)SMILES: BrCCC(=O)O
(2)InChI: InChI=1/C3H5BrO2/c4-2-1-3(5)6/h1-2H2,(H,5,6)
(3)InChIKey: DHXNZYCXMFBMHE-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C3H5BrO2/c4-2-1-3(5)6/h1-2H2,(H,5,6)
(5)Std. InChIKey: DHXNZYCXMFBMHE-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LDLo | intraperitoneal | 500mg/kg (500mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) | "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 6, Pg. 228, 1954. |
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