1H-Indole-7-carboxylic acid, 4-broMo-, Methyl ester

Uses

Product Name: 1H-Indole-7-carboxylic acid, 4-broMo-, Methyl ester
CAS No.: 1224724-39-3
Chemical Name: 1H-Indole-7-carboxylic acid, 4-broMo-, Methyl ester
Synonyms: Methyl 4-Bromoindole-7-carboxylate;Methyl 4-broMo-1H-indole-7-carboxylate;1H-Indole-7-carboxylic acid, 4-broMo-, Methyl ester
CBNumber: CB62607065
Molecular Formula: C10H8BrNO2
Formula Weight: 254.08
MOL File: 1224724-39-3.mol

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1H-Indole-7-carboxylic acid, 4-broMo-, Methyl ester Property

Boiling point:: 402.3±25.0 °C(Predicted)
Density: 1.629±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
pka: 14.49±0.30(Predicted)
Appearance: Off-white to light yellow Solid
InChI: InChI=1S/C10H8BrNO2/c1-14-10(13)7-2-3-8(11)6-4-5-12-9(6)7/h2-5,12H,1H3
InChIKey: JTBLJEGYYYHKGQ-UHFFFAOYSA-N
SMILES: N1C2=C(C(Br)=CC=C2C(OC)=O)C=C1

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Safety

HS Code: 2933998090

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Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P271Use only outdoors or in a well-ventilated area.

P280Wear protective gloves/protective clothing/eye protection/face protection.

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N-Bromosuccinimide Price

TRC

Product number: M296640
Product name: Methyl4-Bromo-1H-indole-7-carboxylate
Packaging: 5mg
Price: $65
Updated: 2021/12/16

Matrix Scientific

Product number: 116105
Product name: Methyl 4-bromo-1H Indole-7-carboxylate
Purity: >95%
Packaging: 500mg
Price: $1081
Updated: 2021/12/16

American Custom Chemicals Corporation

Product number: HCH0369390
Product name: METHYL-4-BROMO-1H-INDOLE-7-CARBOXYLATE
Purity: 95.00%
Packaging: 5MG
Price: $504.67
Updated: 2021/12/16

Matrix Scientific

Product number: 116105
Product name: Methyl 4-bromo-1H Indole-7-carboxylate
Purity: >95%
Packaging: 1g
Price: $1463
Updated: 2021/12/16

Chemenu

Product number: CM148273
Product name: Methyl4-bromo-1HIndole-7-carboxylate
Purity: 95%
Packaging: 1g
Price: $538
Updated: 2021/12/16

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1H-Indole-7-carboxylic acid, 4-broMo-, Methyl ester Chemical Properties,Usage,Production

Uses

Methyl 4-bromo-1H-indole-7-carboxylate can be used as a pharmaceutical synthesis intermediate. It can be prepared by reacting methyl 4-bromo-2-nitrobenzoic acid with vinyl magnesium bromide.

Synthesis

1211594-25-0

74-88-4

1224724-39-3

GENERAL STEPS: To a solution of 4-bromo-1H-indole-7-carboxylic acid (33 g, 137 mmol) in N,N-dimethylformamide (DMF, 300 mL) was added cesium carbonate (Cs2CO3, 90 g, 276 mmol) and stirred at room temperature for 1 hour. Subsequently, iodomethane (29.3 g, 206 mmol) was added slowly and dropwise at 0 °C. The reaction mixture was gradually warmed up to room temperature and stirring was continued for 3 hours. After completion of the reaction, the mixture was poured into water and extracted with ethyl acetate (EtOAc, 200 mL x 2). The organic layers were combined, washed with saturated brine, dried over anhydrous sodium sulfate (Na2SO4), filtered and concentrated under reduced pressure. The residue was purified by silica gel column chromatography to afford methyl 4-bromo-1H-indole-7-carboxylate (13.8 g, 20% yield). The structure of the product was confirmed by 1H NMR (CDCl3): δ 9.98 (s, 1H), 7.76-7.74 (d, J = 8 Hz, 1H), 7.39-7.34 (m, 2H), 6.68-6.66 (m, 1H), 4.00 (s, 3H).

References

[1] Patent: WO2014/210255, 2014, A1. Location in patent: Page/Page column 95

1H-Indole-7-carboxylic acid, 4-broMo-, Methyl ester Preparation Products And Raw materials

Raw materials

Preparation Products

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1H-Indole-7-carboxylic acid, 4-broMo-, Methyl ester Suppliers

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