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ChemicalBook--->CAS DataBase List--->773873-77-1

773873-77-1

773873-77-1 Structure

773873-77-1 Structure
IdentificationBack Directory
[Name]

5-BROMO-1H-INDOLE-3-CARBOXYLIC ACID METHYL ESTER
[CAS]

773873-77-1
[Synonyms]

RARECHEM AL BF 0374
Methyl 5-BroMoindole-3-carboxylate
METHYL 5-BROMO-1H-INDOLE-3-CARBOXYLATE
1H-Indole-3-carboxylicacid,5-broMo-,Methylester
5-BROMO-1H-INDOLE-3-CARBOXYLIC ACID METHYL ESTER
[EINECS(EC#)]

221-862-6
[Molecular Formula]

C10H8BrNO2
[MDL Number]

MFCD06203728
[MOL File]

773873-77-1.mol
[Molecular Weight]

254.08
Chemical PropertiesBack Directory
[Melting point ]

212-214 °C
[Boiling point ]

386.2±22.0 °C(Predicted)
[density ]

1.629±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[pka]

14.46±0.30(Predicted)
[Appearance]

White to off-white Solid
[CAS DataBase Reference]

773873-77-1
Safety DataBack Directory
[HS Code ]

2933998090
Spectrum DetailBack Directory
[Spectrum Detail]

5-BROMO-1H-INDOLE-3-CARBOXYLIC ACID METHYL ESTER(773873-77-1)1HNMR
Hazard InformationBack Directory
[Synthesis]

Methanol

67-56-1

5-BROMO-1H-INDOLE-3-CARBOXYLIC ACID

10406-06-1

5-BROMO-1H-INDOLE-3-CARBOXYLIC ACID METHYL ESTER

773873-77-1

GENERAL METHOD: 4.0 g of 5-bromo-1H-indole-3-carboxylic acid was dissolved in 40 times the volume (400 mL) of methanol and a catalytic amount of concentrated sulfuric acid was slowly added. The reaction mixture was heated to reflux for 5 hours, followed by slow cooling to room temperature. Ice-cold water was added to the cooled mixture and the yellow solid was collected by filtration. The solid was recrystallized from ethanol to give methyl 5-bromo-indole-3-carboxylate (12b) as a yellow solid in 62% yield. The product characterization data were as follows: melting point: 210-212 °C; IR (KBr, cm-1): 3213, 3114, 2929, 1745; 1H NMR (400 MHz, CDCl3): δ 3.93 (3H, s, -OCH3), 7.28 (1H, d, J = 8.8 Hz, Ar-H), 7.35 (1H, m, Ar-H ), 7.91 (1H, d, J = 2.8 Hz, Ar-H), 8.32 (1H, s, Ar-H), 8.67 (1H, s, -NH); 13C NMR (400 MHz, CDCl3 + DMSO-d6): δ 49.93, 105.91, 112.88, 113.75, 122.40, 124.26, 126.65, 131.89, 134.33, 164.13; HRMS (m/z): calculated value C10H9NO2Br [M]+: 253.98112, measured value: 253.98102.

[References]

[1] Chemical Papers, 2018, vol. 72, # 6, p. 1369 - 1378
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