ChemicalBook--->CAS DataBase List--->30766-11-1

30766-11-1

30766-11-1 Structure

30766-11-1 Structure
IdentificationMore
[Name]

5-Bromopyridine-2-carboxylic acid
[CAS]

30766-11-1
[Synonyms]

5-BROMOPYRIDINE-2-CARBOXYLIC ACID METHYL ESTER
METHYL 5-BROMO-2-PYRIDINECARBOXYLATE
METHYL 5-BROMOPICOLINATE
METHYL 5-BROMOPYRIDINE-2-CARBOXYLATE
5-bromo-2-pyridine carboxlic acid
5-bromo-2-pyridinecarboxlic acid
5-Bromopyridine-2-carboxylic acid
5-BROMO-2-PICOLINIC ACID5-BROMO-2-PYRIDINECARBOXYLIC ACID
5-Bromo-2-pyridinecaroboxylic acid
5-Bromopyridine-2-carboxylic acid ,98%
[EINECS(EC#)]

640-263-4
[Molecular Formula]

C6H4BrNO2
[MDL Number]

MFCD04112493
[Molecular Weight]

202.01
[MOL File]

30766-11-1.mol
Chemical PropertiesBack Directory
[Appearance]

white Cryst
[Melting point ]

173-175°C
[Boiling point ]

319.5±27.0 °C(Predicted)
[density ]

1.813±0.06 g/cm3(Predicted)
[storage temp. ]

Keep in dark place,Sealed in dry,Room Temperature
[solubility ]

Soluble in methanol.
[form ]

Powder
[pka]

3.41±0.10(Predicted)
[color ]

White to off-white
[Detection Methods]

HPLC
[InChI]

InChI=1S/C6H4BrNO2/c7-4-1-2-5(6(9)10)8-3-4/h1-3H,(H,9,10)
[InChIKey]

MNNQIBXLAHVDDL-UHFFFAOYSA-N
[SMILES]

C1(C(O)=O)=NC=C(Br)C=C1
[CAS DataBase Reference]

30766-11-1(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S24/25:Avoid contact with skin and eyes .
S36:Wear suitable protective clothing .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
[Hazard Note ]

Irritant
[HazardClass ]

IRRITANT
[HS Code ]

29333990
Raw materials And Preparation ProductsBack Directory
[Raw materials]

N,N-Dimethylformamide-->n-Butyllithium-->Hexane-->Ethyl chloroformate-->Copper(I) Cyanide-->2,5-Dibromopyridine-->5-Nitropyridine-2-carboxylic acid-->5-Aminopyridine-2-carboxylic Acid-->5-Bromopyridine-2-carboxylic acid methyl ester-->5-Bromopyridine-2-carbaldehyde-->5-bromo-2-pyridinecarboxylic acid ethyl ester-->tert-Butyl 5-bromopyridine-2-carboxylate 98
[Preparation Products]

Methyl 5-ethynylpyridine-2-carboxylate
Questions And AnswerBack Directory
[Uses]

5-Bromopyridine-2-carboxylic acid is used as a pharmaceutical intermediate. Store in cool, dry place in a well sealed container. Store away from oxidizing agents.

Hazard InformationBack Directory
[Chemical Properties]

white Cryst
[Synthesis]

5-Bromo-2-methylpyridine

3430-13-5

5-Bromo-2-pyridinecarboxylic Acid

30766-11-1

4.1.7 Synthesis of 5-bromopyridine-2-carboxylic acid (11): In a 250 mL three-necked flask assembled with a stirrer, thermometer, and condenser tube, add 150 mL of water and 5-bromo-2-methylpyridine (10) (6.0 g, 35 mmol). After turning on the stirring and heating to 80 °C, potassium permanganate (KMnO4) (24.8 g, 157 mmol) was added in three batches at 1 h intervals. The reaction temperature was maintained at 80 °C and stirring was continued for 3-4 hours. Upon completion of the reaction, filtration was carried out to obtain a clarified filtrate. The pH of the filtrate was adjusted to 4-5 with concentrated hydrochloric acid, at which point a white solid precipitated. The filtrate was filtered to collect a small amount of product (11). The filtrate was concentrated under vacuum and an appropriate amount of ethanol was added to the residue to dissolve compound (11), at which time a large amount of white solid precipitated, the filtrate was again withdrawn and the solid discarded. Finally, the filtrate was concentrated under vacuum to give a light yellow solid product (11) (3.0 g, 39% yield).

[References]

[1] Bioorganic and Medicinal Chemistry, 2015, vol. 23, # 13, p. 3228 - 3236
[2] Journal fuer Praktische Chemie (Leipzig), 1932, vol. <2> 133, p. 36,49
[3] Heterocycles, 1981, vol. 15, # 1, p. 213 - 223
[4] Synthesis, 2003, # 4, p. 551 - 554
[5] Patent: US2005/113374, 2005, A1. Location in patent: Page/Page column 8
Spectrum DetailBack Directory
[Spectrum Detail]

5-Bromopyridine-2-carboxylic acid(30766-11-1)MS
5-Bromopyridine-2-carboxylic acid(30766-11-1)1HNMR
5-Bromopyridine-2-carboxylic acid(30766-11-1)IR1
5-Bromopyridine-2-carboxylic acid(30766-11-1)IR2
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

5-Bromopyridine-2-carboxylic acid, 98%(30766-11-1)
[TCI AMERICA]

5-Bromopicolinic Acid,>97.0%(GC)(T)(30766-11-1)
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