ChemicalBook > CAS DataBase List > Methyl 4-(trifluoromethyl)-1H-indole-2-carboxylate

Methyl 4-(trifluoromethyl)-1H-indole-2-carboxylate

Product Name
Methyl 4-(trifluoromethyl)-1H-indole-2-carboxylate
CAS No.
1098340-27-2
Chemical Name
Methyl 4-(trifluoromethyl)-1H-indole-2-carboxylate
Synonyms
Methyl 4-trifluoromethyl 2-indoleformate;Methyl 4-(trifluoromethyl)-1H-indole-2-carboxylate;4-trifluoromethyl-2-indole-3-carboxylic acid methyl ester;1H-Indole-2-carboxylic acid, 4-(trifluoromethyl)-, methyl ester
CBNumber
CB43052769
Molecular Formula
C11H8F3NO2
Formula Weight
243.18
MOL File
1098340-27-2.mol
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Methyl 4-(trifluoromethyl)-1H-indole-2-carboxylate Property

Boiling point:
334.5±37.0 °C(Predicted)
Density 
1.403±0.06 g/cm3(Predicted)
storage temp. 
2-8°C
pka
13.56±0.30(Predicted)
Appearance
Off-white to light yellow Solid
InChI
InChI=1S/C11H8F3NO2/c1-17-10(16)9-5-6-7(11(12,13)14)3-2-4-8(6)15-9/h2-5,15H,1H3
InChIKey
HEEQKKQXILYZNF-UHFFFAOYSA-N
SMILES
N1C2=C(C(C(F)(F)F)=CC=C2)C=C1C(OC)=O
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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

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

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

P302+P352IF ON SKIN: wash with plenty of soap and water.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

P321Specific treatment (see … on this label).

P332+P313IF SKIN irritation occurs: Get medical advice/attention.

P362Take off contaminated clothing and wash before reuse.

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N-Bromosuccinimide Price

TRC
Product number
M337828
Product name
Methyl4-(Trifluoromethyl)-1H-indole-2-carboxylate
Packaging
50mg
Price
$45
Updated
2021/12/16
American Custom Chemicals Corporation
Product number
HCH0035829
Product name
METHYL 4-(TRIFLUOROMETHYL)-1H-INDOLE-2-CARBOXYLATE
Purity
95.00%
Packaging
5MG
Price
$497.72
Updated
2021/12/16
Alichem
Product number
1098340272
Product name
Methyl4-(trifluoromethyl)-1H-indole-2-carboxylate
Packaging
5g
Price
$538.72
Updated
2021/12/16
Crysdot
Product number
CD11352802
Product name
Methyl4-(trifluoromethyl)-1H-indole-2-carboxylate
Purity
95+%
Packaging
5g
Price
$745
Updated
2021/12/16
Chemenu
Product number
CM256947
Product name
Methyl4-(trifluoromethyl)-1H-indole-2-carboxylate
Purity
95%
Packaging
10g
Price
$803
Updated
2021/12/16
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Methyl 4-(trifluoromethyl)-1H-indole-2-carboxylate Chemical Properties,Usage,Production

Synthesis

1362860-87-4

1098340-27-2

General procedure: methyl 2-azido-3-[2-(trifluoromethyl)phenyl]prop-2-enoate (20.0 mmol) was added to preheated xylene (75 mL) in one go, and the reaction was kept at reflux for 2 hours. After completion of the reaction, the solvent was removed by rotary evaporator and the resulting crude product was purified by silica gel column chromatography with the eluent being a mixed petroleum ether/ethyl acetate solvent. The synthesis of compound 4-(trifluoromethyl)-1H-indole-2-carboxylic acid methyl ester was carried out with reference to the methods reported in literature [9b], [13] and [14].

References

[1] European Journal of Medicinal Chemistry, 2012, vol. 49, p. 379 - 396

Methyl 4-(trifluoromethyl)-1H-indole-2-carboxylate Preparation Products And Raw materials

Raw materials

Preparation Products

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1098340-27-2, Methyl 4-(trifluoromethyl)-1H-indole-2-carboxylateRelated Search:


  • Methyl 4-(trifluoromethyl)-1H-indole-2-carboxylate
  • 1H-Indole-2-carboxylic acid, 4-(trifluoromethyl)-, methyl ester
  • 4-trifluoromethyl-2-indole-3-carboxylic acid methyl ester
  • Methyl 4-trifluoromethyl 2-indoleformate
  • 1098340-27-2