ChemicalBook > CAS DataBase List > 4-Bromo-1H-indole-7-carboxylic acid

4-Bromo-1H-indole-7-carboxylic acid

Product Name
4-Bromo-1H-indole-7-carboxylic acid
CAS No.
1211594-25-0
Chemical Name
4-Bromo-1H-indole-7-carboxylic acid
Synonyms
4-Bromoindole-7-carboxylic Acid;4-broMo-1H-indole-7-carboxylic acid;1H-Indole-7-carboxylic acid, 4-broMo-
CBNumber
CB32607064
Molecular Formula
C9H6BrNO2
Formula Weight
240.05
MOL File
1211594-25-0.mol
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4-Bromo-1H-indole-7-carboxylic acid Property

Boiling point:
455.8±30.0 °C(Predicted)
Density 
1.838±0.06 g/cm3(Predicted)
storage temp. 
Keep in dark place,Inert atmosphere,Room temperature
pka
4.54±0.10(Predicted)
Appearance
Light brown to brown Solid
InChI
InChI=1S/C9H6BrNO2/c10-7-2-1-6(9(12)13)8-5(7)3-4-11-8/h1-4,11H,(H,12,13)
InChIKey
CDTILRQKJWYBOM-UHFFFAOYSA-N
SMILES
N1C2=C(C(Br)=CC=C2C(O)=O)C=C1
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H302Harmful if swallowed

H317May cause an allergic skin reaction

Precautionary statements

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

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N-Bromosuccinimide Price

TRC
Product number
B998015
Product name
4-Bromo-1H-indole-7-carboxylicAcid
Packaging
10mg
Price
$45
Updated
2021/12/16
American Custom Chemicals Corporation
Product number
HCH0365508
Product name
4-BROMO-1H-INDOLE-7-CARBOXYLIC ACID
Purity
95.00%
Packaging
5MG
Price
$496.64
Updated
2021/12/16
Chemenu
Product number
CM147931
Product name
4-Bromo-1H-indole-7-carboxylicacid
Purity
95%
Packaging
1g
Price
$500
Updated
2021/12/16
Alichem
Product number
1211594250
Product name
4-Bromo-1H-indole-7-carboxylicacid
Packaging
1g
Price
$525
Updated
2021/12/16
SynChem
Product number
SC-26955
Product name
4-BROMO-1H-INDOLE-7-CARBOXYLIC ACID
Purity
95+%
Packaging
1g
Price
$750
Updated
2021/12/16
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4-Bromo-1H-indole-7-carboxylic acid Chemical Properties,Usage,Production

Synthesis

1224724-39-3

1211594-25-0

To a solution of methyl 4-bromo-1H-indole-7-carboxylate (6 g, 23 mmol, Preparation 1 Step B) in tetrahydrofuran (THF, 300 mL) was added water (60 mL), methanol (MeOH, 60 mL) and lithium hydroxide (2.83 g, 118 mmol). The reaction mixture was heated to reflux and stirred overnight. After completion of the reaction, it was cooled to room temperature and concentrated under reduced pressure to remove the solvent. To the remaining aqueous layer 4N hydrochloric acid (HCl) was slowly added to adjust the pH to about 6. The precipitate precipitated was collected by filtration and the solid was dried to give 4-bromo-1H-indole-7-carboxylic acid (5.5 g, 97% yield). The structure of the product was confirmed by 1H NMR (DMSO-d6): δ 11.39 (br, 1H), 7.65-7.63 (d, J = 8.0 Hz, 1H), 7.46-7.44 (m, 1H), 7.33-7.31 (d, J = 8.0 Hz, 1H), 6.49-6.48 (m, 1H).

References

[1] Patent: WO2014/210255, 2014, A1. Location in patent: Page/Page column 101

4-Bromo-1H-indole-7-carboxylic acid Preparation Products And Raw materials

Raw materials

Preparation Products

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1211594-25-0, 4-Bromo-1H-indole-7-carboxylic acidRelated Search:

4-BROMO-6-CYANOINDOLE 4-bromo-1H-indole-7-carboxamide 1H-Indole-6-carboxylic acid, 4-broMo-, Methyl ester 1H-Indole-7-carboxylic acid, 4-broMo-, Methyl ester methyl 4-bromo-1H-indole-3-carboxylate 4-BROMO-1-(TERT-BUTOXYCARBONYL)-1H-INDOLE-3-CARBOXYLIC ACID

  • 1H-Indole-7-carboxylic acid, 4-broMo-
  • 4-broMo-1H-indole-7-carboxylic acid
  • 4-Bromoindole-7-carboxylic Acid
  • 1211594-25-0