Bromopyruvic acid supplier | CasNO.1113-59-3

Name
Bromopyruvic acid
EINECS 214-206-5
CAS No. 1113-59-3
Article Data15
CAS DataBase
Density 2.011 g/cm³
Solubility Soluble in water, dimethyl sulfoxide, ethyl acetate and water.
Melting Point 77-82 °C
Formula C₃H₃BrO₃
Boiling Point 223.4 °C at 760 mmHg
Molecular Weight 166.959
Flash Point 88.9 °C
Transport Information UN 3261 8/PG 2
Appearance white to pale yellow crystalline powder
Safety 26-36/37/39-45-27
Risk Codes 34-20/21/22
Molecular Structure
Hazard Symbols C
Synonyms Pyruvicacid, bromo- (6CI,7CI,8CI);3-Bromo-2-oxopropanoic acid;3-Bromopyruvate;3-Bromopyruvic acid;NSC 11731;NSC 62343;b-Bromopyruvic acid;
PSA 54.37000
LogP 0.03500

Synthetic route

: 127-17-3
2-oxo-propionic acid

: 1113-59-3
bromopyruvic acid

Conditions

Conditions	Yield
With sulfuric acid; bromine for 1h;	90%
With bromine at 50℃;	85%
With bromine
With bromine at 40 - 50℃;

: 14214-10-9
ethyl diazopyruvate

A: 1113-59-3
bromopyruvic acid

B: 70-23-5
ethyl Bromopyruvate

Conditions

Conditions	Yield
With diethyl ether; hydrogen bromide

: 123-54-6
acetylacetone

A: 1113-59-3
bromopyruvic acid

B: 600-35-1
dibromo-pyruvic acid

C: 858451-26-0
tribromo-pyruvic acid

D: 64-19-7
acetic acid

E: 127-17-3
2-oxo-propionic acid

Conditions

Conditions	Yield
With potassium bromate; manganese(III) sulfate; sulfuric acid In water at 35℃; Mechanism; Belousov-Zhabotinsky reaction: dependence of oscillatory reaction on concentration of reactants; oscillatory characteristics;

...Expand

: 7732-18-5
water

: 7726-95-6
bromine

: 127-17-3
2-oxo-propionic acid

A: 1113-59-3
bromopyruvic acid

B: 600-35-1
dibromo-pyruvic acid

C: 858451-26-0
tribromo-pyruvic acid

...Expand

: 113-24-6
sodium pyruvate

: 1113-59-3
bromopyruvic acid

Conditions

Conditions	Yield
With bromine In sulfuric acid at 25℃; Kinetics; Further Variations:; Temperatures; Bromination;

: 5-chloro-2-hydroxy-thiobenzamide

: 127-17-3
2-oxo-propionic acid

A: 2-(5-chloro-2-hydroxyphenyl)-thiazole-4-carboxylic acid

B: 1113-59-3
bromopyruvic acid

Conditions

Conditions	Yield
With bromine In water

...Expand

: 868387-55-7
1H-pyrrolo[2,3-b]pyridin-3-carbothioc acid amide

: 1113-59-3
bromopyruvic acid

: 868387-56-8
2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-thiazole-4-carboxylic acid

Conditions

Conditions	Yield
In ethanol at 20℃; for 18h; Heating / reflux;	100%

: 868387-55-7
1H-pyrrolo[2,3-b]pyridin-3-carbothioc acid amide

: 1113-59-3
bromopyruvic acid

: 2-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiazole-4-carboxylic acid

Conditions

Conditions	Yield
In ethanol at 20℃; for 18h; Reflux;	100%

: 1113-59-3
bromopyruvic acid

: 89226-13-1
2-(N-t-butoxycarbonylamino)thioacetamide

: 71904-80-8
2-((tert-butoxycarbonylamino)methyl)thiazole-4-carboxylic acid

Conditions

Conditions	Yield
With calcium carbonate In ethanol Inert atmosphere;	99%
With calcium carbonate In methanol at 20℃; for 87h; Hantzsch Thiazole Synthesis;	98%
With calcium carbonate In ethanol for 5h; Ambient temperature;	74%

: 1113-59-3
bromopyruvic acid

: 122-51-0
orthoformic acid triethyl ester

: 57084-54-5
3-bromo-2,2-diethoxypropionic acid

Conditions

Conditions	Yield
With sulfuric acid for 24h; Ambient temperature;	99%
With sulfuric acid at 20℃;	90%
With sulfuric acid at 20℃; for 24h;
With sulfuric acid at 20℃; for 24h; Inert atmosphere;

: 1113-59-3
bromopyruvic acid

: 182120-83-8
2-(tert-butoxycarbonylaminomethyl)-1,3-thiazole-4-carbothioamide

: 182120-84-9
2'-(tert-Butoxycarbonylamino-methyl)-[2,4']bithiazolyl-4-carboxylic acid

Conditions

Conditions	Yield
With calcium carbonate In ethanol Inert atmosphere;	99%
With calcium carbonate In ethanol for 5h; Ambient temperature;	60%
With calcium carbonate In ethanol at 23℃; for 16h;	58%
With calcium carbonate In ethanol at 23℃; for 16h;	58%

: 1113-59-3
bromopyruvic acid

: 2227-79-4
benzenecarbothioamide

: 7113-10-2
2-phenyl-1,3-thiazole-4-carboxylic acid

Conditions

Conditions	Yield
In 1,4-dioxane for 2h; Heating / reflux;	99%
In 1,4-dioxane at 110℃; for 2h;	0.8 g

: 1113-59-3
bromopyruvic acid

: 1-(3β-hydroxypregn-5-ene-20E-ylidene)thiosemicarbazone

: (Z)-2-((E)-(1-((8S,9S,10R,13S,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethylidene)hydrazono)-2,3-dihydrothiazole-4-carboxylic acid

Conditions

Conditions	Yield
In ethanol at 80℃; Inert atmosphere;	99%

: 1113-59-3
bromopyruvic acid

: 1-(3β-hydroxy-pregn-5-ene-20E-ylidene)-4-allylthiosemicarbazone

: (Z)-3-allyl-2-((E)-(1-((8S,9S,10R,13S,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethylidene)hydrazono)-2,3-dihydrothiazole-4-carboxylic acid

Conditions

Conditions	Yield
In ethanol at 80℃; Inert atmosphere;	99%

: 1113-59-3
bromopyruvic acid

: 1627-73-2
1-benzylidene thiosemicarbazide

: 136513-92-3
2-{N'-[1-Phenyl-meth-(E)-ylidene]-hydrazino}-thiazole-4-carboxylic acid; hydrobromide

Conditions

Conditions	Yield
In 1,4-dioxane at 65℃; for 0.5h;	98%

: 1113-59-3
bromopyruvic acid

: 115-11-7
isobutene

: 16754-73-7
tert-butyl bromopyruvate

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In dichloromethane at 20℃; for 96h;	98%

: 1113-59-3
bromopyruvic acid

: 855531-26-9
(4-chloro-3-methoxy-phenyl)-thiourea

: 855531-27-0
2-(4-chloro-3-methoxyphenylamino)-thiazole-4-carboxylic acid

Conditions

Conditions	Yield
In ethanol at 60℃; for 1h;	98%

: 1113-59-3
bromopyruvic acid

: 84863-83-2
2,3-dichlorobenzothioamide

: 257876-07-6
2-(2,3-dichlorophenyl)thiazole-4-carboxylic acid

Conditions

Conditions	Yield
In 1,4-dioxane for 2h; Product distribution / selectivity; Heating / reflux;	98%
In acetonitrile at 80℃; for 1h; Inert atmosphere;	94%
In tetrahydrofuran at 70℃; for 14h;	48%

: 1113-59-3
bromopyruvic acid

: 371770-30-8
N-9-fluorenylmethoxycarbonyl thiourea

: 2-(9H-fluoren-9-ylmethoxycarbonylamino)-thiazole-4-carboxylic acid

Conditions

Conditions	Yield
In 1,4-dioxane for 1h; Heating / reflux;	97%
In 1,4-dioxane	97%
In 1,4-dioxane for 1h; Heating;	75%

: 1113-59-3
bromopyruvic acid

: 1190234-57-1
ethyl 1-(2-amino-2-thioxoethyl)-1H-pyrazole-4-carboxylate

: 1190234-61-7
2-{[4-(ethoxycarbonyl)-1H-pyrazol-1-yl]methyl}-1,3-thiazole-4-carboxylic acid

Conditions

Conditions	Yield
In acetonitrile at 80℃; for 2h;	97%

: 1113-59-3
bromopyruvic acid

: 1190893-33-4
2-{3-[bis(2-ethoxy-2-oxoethyl)amino]-4-methylphenyl}-1,3-thiazole-4-carboxylic acid

Conditions

Conditions	Yield
In water; N,N-dimethyl-formamide	97%

: 1113-59-3
bromopyruvic acid

: 75261-25-5
3-bromo-2-oxopropanoyl chloride

Conditions

Conditions	Yield
With Dichloromethyl methyl ether at 20 - 50℃; for 2.5h;	95%
With Dichloromethyl methyl ether at 50℃; for 2.5h; Sealed tube; Schlenk technique; Inert atmosphere;	50%
With Dichloromethyl methyl ether at 20 - 50℃; for 2.16667h;

: 1113-59-3
bromopyruvic acid

: 60-12-8
2-phenylethanol

: 2-phenylethyl-3-bromo-2-oxopropionate

Conditions

Conditions	Yield
With sulfuric acid; magnesium sulfate In dichloromethane at 20℃;	95%

: 1719-76-2
1-isopropylthiourea

: 1113-59-3
bromopyruvic acid

: 2-(isopropylamino)thiazole-4-carboxylic acid hydrobromide salt

Conditions

Conditions	Yield
In 1,4-dioxane at 80℃; for 2h;	94%
	94%
In 1,4-dioxane	94%

: 1113-59-3
bromopyruvic acid

: 312751-53-4
[2-(1H-Indol-3-yl)-ethyl]-thiourea

: 858675-15-7
2-[2-(1H-Indol-3-yl)-ethylamino]-thiazole-4-carboxylic acid hydrobromide

Conditions

Conditions	Yield
In methanol for 1.5h; Heating / reflux;	93%

: 111-87-5
octanol

: 1113-59-3
bromopyruvic acid

: octyl 3-bromo-2-oxopropanoate

Conditions

Conditions	Yield
With sulfuric acid; magnesium sulfate In dichloromethane at 20℃; Inert atmosphere;	92%

: 112-72-1
1-Tetradecanol

: 1113-59-3
bromopyruvic acid

: tetradecyl 3-bromo-2-oxopropanoate

Conditions

Conditions	Yield
With sulfuric acid; magnesium sulfate In dichloromethane at 20℃; Inert atmosphere;	91%

: 1113-59-3
bromopyruvic acid

: 4334-74-1
4-methoxybenzylidene thiosemicarbazone

: 136513-93-4
2-{N'-[1-(4-Methoxy-phenyl)-meth-(E)-ylidene]-hydrazino}-thiazole-4-carboxylic acid; hydrobromide

Conditions

Conditions	Yield
In 1,4-dioxane at 65℃; for 0.5h;	90%

: 1113-59-3
bromopyruvic acid

: 8-bromo-2,3-dihydrobenzo[f][1,4]oxazepin-5-amine hydrochloride

: 1282516-74-8
9-bromo-5,6-dihydrobenzo[f]imidazo[1,2-d]-[1,4]oxazepine-2-carboxylic acid

Conditions

Conditions	Yield
With N,N,N',N'-tetramethylguanidine In 2-methyltetrahydrofuran; 1-methyl-pyrrolidin-2-one at 50℃; Large scale;	90%

: 1113-59-3
bromopyruvic acid

: (6R-trans)-7-[[[(2,6-dichloro-4-pyridinyl)thio]acetyl]amino]-3-[(4-pyridinyl-thio)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

: (6R-trans)-4-[[[2-carboxy-7[[[(2,6-dichloro-4-pyridinyl)thio]acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]thio]-1-(2-carboxy-2-oxoethyl)-pyridinium, hydroxide, inner salt

Conditions

Conditions	Yield
Stage #1: (6R-trans)-7-[[[(2,6-dichloro-4-pyridinyl)thio]acetyl]amino]-3-[(4-pyridinyl-thio)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid With N,O-bis-(trimethylsilyl)-acetamide In tetrahydrofuran at 25℃; for 0.5h; silylation; Stage #2: bromopyruvic acid In tetrahydrofuran for 2h; Substitution;	89%

: 1113-59-3
bromopyruvic acid

: 87-48-9
5-Bromo-1H-indole-2,3-dione

: 6-bromo-3-hydroxyquinoline-4-carboxylic acid

Conditions

Conditions	Yield
Stage #1: 5-Bromo-1H-indole-2,3-dione With water; potassium hydroxide at 20 - 50℃; for 1.5h; Inert atmosphere; Stage #2: bromopyruvic acid at 25℃; for 90h; Inert atmosphere;	87.2%
Stage #1: bromopyruvic acid; 5-Bromo-1H-indole-2,3-dione With potassium hydroxide In water at 20℃; for 144h; Stage #2: With hydrogenchloride In water pH=< 7;	58%
With potassium hydroxide

: 1113-59-3
bromopyruvic acid

: 104-87-0
4-methyl-benzaldehyde

: C11H9O3(1-)*K(1+)

Conditions

Conditions	Yield
With potassium hydroxide In methanol at 0 - 40℃; for 1.5h; Inert atmosphere;	87%

: 1113-59-3
bromopyruvic acid

: 68-11-1
mercaptoacetic acid

: 51783-05-2
3-(Carboxymethylthio)-2-oxopropanoic Acid

Conditions

Conditions	Yield
With triethylamine In water; acetone at 0℃;	86%
With sodium hydrogencarbonate In water for 2h; Ambient temperature;

: 96-50-4
2-thiazolylamine

: 1113-59-3
bromopyruvic acid

: 53572-98-8
imidazo[2,1-b]thiazole-6-carboxylic acid

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In N,N-dimethyl-formamide at 125℃; under 3000.3 Torr; for 0.166667h; Automated synthesizer;	86%

Bromopyruvic acid Chemical Properties

Molecular Formula:C₃H₃BrO₃
Molar mass:166.95812g/mol
Structure of Bromopyruvic acid(1113-59-3):

Synonyms of Bromopyruvic acid(1113-59-3):Pyruvic acid, bromo-;.beta.-Bromopyruvic acid;3-Bromo-2-oxopropionic acid;Propanoic acid, 3-bromo-2-oxo-;bromopyruvate;3-bromopyruvate;3-BROMOPYRUVIC ACID
Density:2.011 g/cm³
Flash Point:88.9 °C
Boiling Point:223.4 °C at 760 mmHg
Index of Refraction:1.521
Vapour Pressure:0.0357 mmHg at 25°C
Melting point:77-82 °C
Solubility: Not dissolve in water
Appearance:White solid
storage temp:2-8°C

Bromopyruvic acid Uses

Bromopyruvic acid(1113-59-3) can be used as intermediate of fungicide Thiabendazole.

Bromopyruvic acid Toxicity Data With Reference

1.mouse LD50 intraperitoneal 72mg/kg (72mg/kg)
SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION. GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS
Journal of Pharmacology and Experimental Therapeutics. Vol. 123, Pg. 48, 1958.

Bromopyruvic acid Consensus Reports

Reported in EPA TSCA Inventory.

Bromopyruvic acid Safety Profile

Poison by intraperitoneal route. When heated to decomposition it emits toxic vapors of NO_x and Br⁻.
Hazard Codes:C

Risk Statements:
20: Harmful by inhalation
21: Harmful in contact with skin
22: Harmful if swallowed
34: Causes burns
Safety Statements:
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
27: Take off immediately all contaminated clothing
28: After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer)
36: Wear suitable protective clothing
37: Wear suitable gloves
39: Wear eye/face protection
45: In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)

Bromopyruvic acid Specification

Product Categories of Bromopyruvic acid(1113-59-3):Aliphatics;Organic acids;Carboxylic Acids;Carboxylic Acids

Product Name

Bromopyruvic acid

Synthetic route

Bromopyruvic acid Chemical Properties

Bromopyruvic acid Uses

Bromopyruvic acid Toxicity Data With Reference

Bromopyruvic acid Consensus Reports

Bromopyruvic acid Safety Profile

Bromopyruvic acid Specification

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