Conditions | Yield |
---|---|
Stage #1: iodobromomethane With isopropylmagnesium chloride In tetrahydrofuran at -78℃; for 0.0166667h; Inert atmosphere; Stage #2: carbon dioxide In tetrahydrofuran at -78℃; for 3h; | 100% |
Conditions | Yield |
---|---|
With 1-hydroxy-1H-1,2,3-benziodoxathiole 1,3,3-trioxide; Oxone; cetyltrimethylammonim bromide In water at 100℃; for 24h; Green chemistry; chemoselective reaction; | 90% |
Conditions | Yield |
---|---|
With N-Bromosuccinimide; sulfuric acid In trifluoroacetic acid at 85℃; for 16h; | 88% |
With phosphorus; bromine at 100℃; | |
With hydrogenchloride; bromine at 80 - 90℃; |
β-bromocaproic acid
acetonitrile
A
hexanenitrile
B
bromoacetic acid
Conditions | Yield |
---|---|
zinc(II) chloride at 280℃; for 1h; | A 81% B n/a |
tribromoacetic acid
A
succinic acid
B
acetic acid
C
bromoacetic acid
Conditions | Yield |
---|---|
With sodium tetrahydroborate In water at 20℃; for 5h; Green chemistry; | A 80% B 15% C 5% |
Conditions | Yield |
---|---|
Stage #1: acetic acid With lithium diisopropyl amide In tetrahydrofuran at 0 - 40℃; Inert atmosphere; Stage #2: With N,N-diethyl-N-bromoamine In tetrahydrofuran at 20 - 25℃; for 2h; Inert atmosphere; | A 52% B 13% |
Stage #1: acetic acid With lithium diisopropyl amide In tetrahydrofuran at 20 - 25℃; Inert atmosphere; Stage #2: With carbon tetrabromide In tetrahydrofuran at 20 - 25℃; Inert atmosphere; | A 51% B 7% |
Conditions | Yield |
---|---|
With hydrogenchloride; triethylamine In tetrahydrofuran; hexane; ethyl acetate | A n/a B 51% |
Conditions | Yield |
---|---|
With lithium hydroxide monohydrate In tetrahydrofuran at 25℃; for 0.333333h; | 32.9% |
Conditions | Yield |
---|---|
With caesium bromide at 19.9℃; under 45003600 Torr; Product distribution; under shear deformation (360 deg); other reagents; | 7% |
1-ethoxy-1,2-dibromo-ethene
bromoacetic acid
Conditions | Yield |
---|---|
With water |
Conditions | Yield |
---|---|
bei der elektrochemischen Reduktion unter Verwendung von Blei-Katoden; | |
With water; iron at 20℃; Kinetics; |
Conditions | Yield |
---|---|
With air; ethanol |
bromo-acetic acid-(2-chloro-ethyl ester)
bromoacetic acid
Conditions | Yield |
---|---|
Verseifen; |
Conditions | Yield |
---|---|
beim Erhitzen ueber den Schmelzpunkt; |
Conditions | Yield |
---|---|
With pyridine; bromine |
Conditions | Yield |
---|---|
With nitrosylsulfuric acid; nitric acid; potassium bromide | |
With phosphorus; bromine Zersetzung des entstandenen Bromacetylbromids mit Wasser; |
Conditions | Yield |
---|---|
at 150 - 180℃; |
Conditions | Yield |
---|---|
With bromine at 150℃; |
Conditions | Yield |
---|---|
With hydrogenchloride |
Conditions | Yield |
---|---|
With nitric acid |
Conditions | Yield |
---|---|
With hydrogen bromide at 150℃; |
Conditions | Yield |
---|---|
subtilisin In water at 30℃; Kinetics; |
Conditions | Yield |
---|---|
subtilisin In water at 30℃; Kinetics; |
Conditions | Yield |
---|---|
With potassium bromate; cerium (IV) sulfate In sulfuric acid at 20℃; Kinetics; redox measurements; |
Conditions | Yield |
---|---|
subtilisin In water at 30℃; Kinetics; |
Conditions | Yield |
---|---|
subtilisin In water at 30℃; Kinetics; | |
With 2-(di(2-hydroxyethyl)amino)ethanesulfonic acid; esterase from Streptomyces diastatochromogenes In water at 25℃; pH=7.20; Enzyme kinetics; | |
With 2-(di(2-hydroxyethyl)amino)ethanesulfonic acid; esterase from Pseudomonas fluorescens In water at 25℃; pH=7.20; Enzyme kinetics; | |
With 2-(di(2-hydroxyethyl)amino)ethanesulfonic acid; lipase from Ophiostoma piliferum In water at 25℃; pH=7.20; Enzyme kinetics; | |
With 2-(di(2-hydroxyethyl)amino)ethanesulfonic acid; lipase from Bacillus thermocatenulanatus In water at 40℃; pH=7.20; Enzyme kinetics; |
Conditions | Yield |
---|---|
subtilisin In water at 30℃; Kinetics; | |
With 2-(di(2-hydroxyethyl)amino)ethanesulfonic acid; esterase from Streptomyces diastatochromogenes In water at 25℃; pH=7.20; Enzyme kinetics; | |
With 2-(di(2-hydroxyethyl)amino)ethanesulfonic acid; esterase from Pseudomonas fluorescens In water at 25℃; pH=7.20; Enzyme kinetics; | |
With 2-(di(2-hydroxyethyl)amino)ethanesulfonic acid; lipase from Ophiostoma piliferum In water at 25℃; pH=7.20; Enzyme kinetics; | |
With 2-(di(2-hydroxyethyl)amino)ethanesulfonic acid; lipase from Bacillus thermocatenulanatus In water at 40℃; pH=7.20; Enzyme kinetics; |
bromoacetic acid
Conditions | Yield |
---|---|
With bromine In chloroform Yield given; |
Conditions | Yield |
---|---|
With toluene-4-sulfonic acid In benzene at 120℃; for 24h; | 100% |
With toluene-4-sulfonic acid In benzene at 120℃; for 24h; Inert atmosphere; | 100% |
With toluene-4-sulfonic acid In benzene at 120℃; for 24h; | 100% |
(-)-menthol
bromoacetic acid
(1R,2S,5R)-menthol bromoacetate
Conditions | Yield |
---|---|
With dmap; dicyclohexyl-carbodiimide In dichloromethane for 3h; | 100% |
With dmap; dicyclohexyl-carbodiimide at 100℃; for 3h; | 96% |
With dmap; dicyclohexyl-carbodiimide In dichloromethane at 0℃; for 2h; | 91% |
1-hydroxy-pyrrolidine-2,5-dione
bromoacetic acid
bromoacetic acid N-hydroxusuccinimidyl ester
Conditions | Yield |
---|---|
With dicyclohexyl-carbodiimide In 1,4-dioxane at 20℃; for 2h; | 100% |
With dicyclohexyl-carbodiimide In tetrahydrofuran at 5℃; for 144h; | 97% |
With dicyclohexyl-carbodiimide In 1,4-dioxane for 1h; Ambient temperature; | 96% |
2-(vinyloxy)ethyl isothiocyanate
bromoacetic acid
2-<1-(bromoacetoxy)ethoxy>ethyl isothiocyanate
Conditions | Yield |
---|---|
at 30 - 45℃; for 0.0833333h; Mechanism; influence of water; | 100% |
at 30 - 45℃; for 0.0833333h; | 100% |
(-)-8-phenylmenthol
bromoacetic acid
bromoacetic acid (-)-8-phenylmenthol ester
Conditions | Yield |
---|---|
With dmap; dicyclohexyl-carbodiimide In dichloromethane for 3h; | 100% |
With toluene-4-sulfonic acid In benzene for 11h; Heating; | 95% |
With 0,2,4-dichlorophenyl-0-methylisopropylamidothiophosphate; dicyclohexyl-carbodiimide | 80% |
With dmap; dicyclohexyl-carbodiimide In dichloromethane for 14h; Ambient temperature; | 77% |
With toluene-4-sulfonic acid In benzene for 16h; Heating; |
N-phenyl-2-thiocyanato-1-pyrrole
bromoacetic acid
A
N-phenyl-2-pyrrolylthioacetic acid
B
N-(2-methoxycarbonylphenyl)-2-methylthiopyrrole
Conditions | Yield |
---|---|
With potassium hydroxide In methanol; water for 2h; | A 100% B n/a |
Conditions | Yield |
---|---|
With 2,6-di-tert-butyl-4-methyl-phenol; toluene-4-sulfonic acid In toluene for 7h; Reflux; | 100% |
With toluene-4-sulfonic acid; 1-octyl-3-methylimidazolium tetrafluoroborate at 80℃; for 1h; | 98% |
With toluene-4-sulfonic acid In 5,5-dimethyl-1,3-cyclohexadiene | 95% |
bromoacetic acid
2-azidoacetic acid
Conditions | Yield |
---|---|
With sodium azide In water | 100% |
With sodium azide In water at 20℃; | 99% |
With sodium azide In water at 20℃; for 48h; | 98% |
succinic acid anhydride
3-(1H-imidazol-1-yl)propan-1-amine
bromoacetic acid
Conditions | Yield |
---|---|
Multistep reaction; | 100% |
N6-[(benzyloxy)carbonyl]-L-lysine
bromoacetic acid
Nα,Nα-bis(carboxymethyl)-Nε-(benzyloxycarbonyl)-L-lysine
Conditions | Yield |
---|---|
With sodium hydroxide at 0 - 50℃; | 100% |
With sodium hydroxide at 0 - 50℃; | 93% |
With sodium hydroxide In water at 0 - 50℃; | 92% |
Conditions | Yield |
---|---|
With sodium hydride In tetrahydrofuran at 60℃; for 12h; | 100% |
Conditions | Yield |
---|---|
With potassium hydride at 60℃; for 20h; | 100% |
Stage #1: 2-pentanol With sodium hydride; potassium iodide In tetrahydrofuran at 0℃; for 0.25h; Inert atmosphere; Stage #2: bromoacetic acid In tetrahydrofuran for 24h; Inert atmosphere; Reflux; | 68% |
bromoacetic acid
4-bromo-2-ethyl-1-methanesulfonyl-benzene
Conditions | Yield |
---|---|
Stage #1: 4-bromo-2-ethylbenzene-1-sulfonyl chloride With sodium hydrogencarbonate; sodium sulfite In 1,4-dioxane; water at 70℃; for 1h; Stage #2: bromoacetic acid In 1,4-dioxane; water at 100℃; Stage #3: With sodium hydroxide In 1,4-dioxane; water at 90℃; | 100% |
Conditions | Yield |
---|---|
Stage #1: C28H40O7 With sodium hydride In tetrahydrofuran for 2h; Inert atmosphere; Stage #2: bromoacetic acid In tetrahydrofuran Stage #3: With hydrogenchloride In water pH=1; | 100% |
5-fluorospiro[indene-2,4‘-piperidin]-1(3H)-one
bromoacetic acid
2-(5-fluoro-1-oxo-1,3-dihydrospiro[indene-2,4'-piperidine]-1'-yl)acetic acid
Conditions | Yield |
---|---|
With triethylamine In acetonitrile at 80℃; for 3h; | 100% |
bromoacetic acid
Conditions | Yield |
---|---|
With 4-methyl-morpholine In ethanol at 20℃; for 20h; | 100% |
Conditions | Yield |
---|---|
Stage #1: bromoacetic acid With N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃; for 1h; Stage #2: benzylamine In dichloromethane; N,N-dimethyl-formamide at 20℃; for 0.5h; Stage #3: bromoacetic acid; benzylamine Further stages; | 100% |
Conditions | Yield |
---|---|
Stage #1: bromoacetic acid With N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃; for 1h; Stage #2: benzylamine In dichloromethane; N,N-dimethyl-formamide at 20℃; for 0.5h; Stage #3: bromoacetic acid; benzylamine Further stages; | 100% |
Stage #1: bromoacetic acid With N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃; for 1h; Stage #2: benzylamine In N,N-dimethyl-formamide at 20℃; for 40h; Stage #3: bromoacetic acid; benzylamine Further stages; | 100% |
Conditions | Yield |
---|---|
With sodium hydrogencarbonate In water at 20 - 80℃; for 16h; | 100% |
bromoacetic acid
Conditions | Yield |
---|---|
Stage #1: Wang-Fmoc-Lys(Mtt)-OH resin With 1,1,1,3',3',3'-hexafluoro-propanol In dichloromethane Wang-Fmoc-Lys(Mtt)-OH resin; Stage #2: 2-[2-[2-[[2-[2-[2-[[(4S)-5-tert-butoxy-4-[10-(4-tert-butoxycarbonylphenoxy)decanoylamino]-5-oxo-pentanoyl]amino]ethoxy]ethoxy]-acetyl]amino]ethoxy]ethoxy]acetic acid With N-[(6-chlorobenzotriazol-1-yl)oxy-(dimethylamino)methylene]-dimethyl-ammonium tetrafluoroborate; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide Wang-Fmoc-Lys(Mtt)-OH resin; Stage #3: bromoacetic acid Further stages; | 100% |
Conditions | Yield |
---|---|
Stage #1: bromoacetic acid With N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃; for 1h; Stage #2: benzylamine In N,N-dimethyl-formamide at 20℃; for 40h; Stage #3: bromoacetic acid; benzylamine Further stages; | 100% |
Conditions | Yield |
---|---|
Stage #1: bromoacetic acid With N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃; for 1h; Stage #2: benzylamine In N,N-dimethyl-formamide at 20℃; for 40h; Stage #3: bromoacetic acid; benzylamine Further stages; | 100% |
Conditions | Yield |
---|---|
Stage #1: bromoacetic acid With N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃; for 1h; Stage #2: benzylamine In N,N-dimethyl-formamide at 20℃; for 40h; Stage #3: bromoacetic acid; 2-methoxyethylamine; benzylamine Further stages; | 100% |
Conditions | Yield |
---|---|
Stage #1: bromoacetic acid With N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃; for 1h; Stage #2: benzylamine In N,N-dimethyl-formamide at 20℃; for 40h; Stage #3: bromoacetic acid; 2-methoxyethylamine; benzylamine Further stages; | 100% |
Conditions | Yield |
---|---|
Stage #1: bromoacetic acid With N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃; for 1h; Stage #2: benzylamine In N,N-dimethyl-formamide at 20℃; for 40h; Stage #3: bromoacetic acid; 2-methoxyethylamine Further stages; | 100% |
Conditions | Yield |
---|---|
Stage #1: bromoacetic acid With N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃; for 1h; Stage #2: N-(2-aminoethyl)-2,3-bis(benzyloxy)benzamide In dichloromethane at 20℃; for 1h; Stage #3: bromoacetic acid With diisopropyl-carbodiimide In N,N-dimethyl-formamide at 20℃; for 1h; | 100% |
Conditions | Yield |
---|---|
Stage #1: bromoacetic acid With N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃; for 1h; Stage #2: propylamine In N,N-dimethyl-formamide at 20℃; for 0.666667h; Stage #3: bromoacetic acid; benzylamine Further stages; | 100% |
Conditions | Yield |
---|---|
Stage #1: bromoacetic acid With N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃; for 1h; Stage #2: n-Pentylamine In N,N-dimethyl-formamide at 20℃; for 0.666667h; Stage #3: bromoacetic acid; benzylamine Further stages; | 100% |
Conditions | Yield |
---|---|
Stage #1: bromoacetic acid With N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃; for 1h; Stage #2: 1-Heptylamine In N,N-dimethyl-formamide at 20℃; for 0.666667h; Stage #3: bromoacetic acid Further stages; | 100% |
The Bromoacetic acid, with the CAS registry number 79-08-3, is also known as Acide bromacetique. It belongs to the product categories of Pharmaceutical Intermediates; Aliphatics; Carboxylic Acids; Acid Based Bromo Compounds; omega-Bromocarboxylic Acids; omega-Functional Alkanols, Carboxylic Acids, Amines & Halides; Carboxylic Acids; 500 Series Drinking Water Methods; Bromo EPA;Chemical Class; Method 552; C1 to C5 Chemical Synthesis; Carbonyl Compounds; A-B Chemical Class; Organic Acids Essential Chemicals; Reagent Grade; Routine Reagents; A-B Alphabetic; Alpha Sort; B; BI - BZ Chemical Class; Bromo; Halogenated; Volatiles/ Semivolatiles; Chemical Synthesis; Organic Acids; Synthetic Reagents. Its EINECS registry number is 201-175-8. This chemical's molecular formula is C2H3BrO2 and molecular weight is 138.95. Its IUPAC name is called 2-bromoacetic acid. What's more, this chemical's classification code is Mutation data. Bromoacetic acid and its esters are widely used building blocks in organic synthesis, for example in pharmaceutical chemistry.
Physical properties of Bromoacetic acid: (1)ACD/LogP: 0.51; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 2; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 1; (9)Index of Refraction: 1.506; (10)Molar Refractivity: 20.611 cm3; (11)Molar Volume: 69.356 cm3; (12)Surface Tension: 51.346 dyne/cm; (13)Density: 2.003 g/cm3; (14)Flash Point: 79.013 °C; (15)Enthalpy of Vaporization: 48.852 kJ/mol; (16)Boiling Point: 207.036 °C at 760 mmHg; (17)Vapour Pressure: 0.093 mmHg at 25°C.
Preparation of Bromoacetic acid: this chemical can be prepared by chloroactic acid and hydrogen.
ClCH3COOH+HBr→BrCH2COOH+HCl
When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C(C(=O)O)Br
(2)InChI: InChI=1S/C2H3BrO2/c3-1-2(4)5/h1H2,(H,4,5)
(3)InChIKey: KDPAWGWELVVRCH-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
dog | LD | intravenous | > 24mg/kg (24mg/kg) | CARDIAC: EKG CHANGES NOT DIAGNOSTIC OF ABOVE BEHAVIORAL: ATAXIA BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) | Acta Pharmacologica et Toxicologica. Vol. 11, Pg. 33, 1955. |
dog | LD | oral | > 48mg/kg (48mg/kg) | BEHAVIORAL: ATAXIA GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" GASTROINTESTINAL: NAUSEA OR VOMITING | Acta Pharmacologica et Toxicologica. Vol. 11, Pg. 33, 1955. |
guinea pig | LDLo | skin | 500mg/kg (500mg/kg) | National Technical Information Service. Vol. OTS0555280, | |
mouse | LD50 | intraperitoneal | 66mg/kg (66mg/kg) | LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES | Journal of the National Cancer Institute. Vol. 31, Pg. 297, 1963. |
mouse | LD50 | oral | 100mg/kg (100mg/kg) | United States Environmental Protection Agency, Office of Pesticides and Toxic Substances. Vol. 8EHQ-0391-1149, | |
rabbit | LD50 | skin | 59900ug/kg (59.9mg/kg) | National Technical Information Service. Vol. OTS0555280, | |
rabbit | LDLo | intravenous | 45mg/kg (45mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: REGIDITY LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION | Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 160, Pg. 551, 1931. |
rat | LCLo | inhalation | 114gm/m3/30M (114000mg/m3) | Russian Pharmacology and Toxicology Vol. 41, Pg. 113, 1978. | |
rat | LD50 | intraperitoneal | 50mg/kg (50mg/kg) | Russian Pharmacology and Toxicology Vol. 41, Pg. 113, 1978. | |
rat | LD50 | oral | 50mg/kg (50mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: REGIDITY | National Technical Information Service. Vol. OTS0555280, |
rat | LD50 | skin | 100mg/kg (100mg/kg) | United States Environmental Protection Agency, Office of Pesticides and Toxic Substances. Vol. 8EHQ-0191-1149S, |
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