5-(trifluoromethoxy)-1H-indole-2-carboxylic acid

Base Information

Chemical Name:5-(trifluoromethoxy)-1H-indole-2-carboxylic acid
CAS No.:175203-84-6
Molecular Formula:C10H6F3NO3
Molecular Weight:245.158
Hs Code.:2933990090
European Community (EC) Number:671-965-9
DSSTox Substance ID:DTXSID40380454
Wikidata:Q82170683
Mol file:175203-84-6.mol

Synonyms:5-(trifluoromethoxy)-1H-indole-2-carboxylic acid;175203-84-6;5-(Trifluoromethoxy)indole-2-carboxylic acid;Maybridge1_004876;HMS555F14;5-trifluoromethoxy-1H-indole-2-carboxylic acid;SCHEMBL2931171;DTXSID40380454;MFCD00276997;AKOS015852964;CCG-246342;FS-1178;BP-11255;CS-0080625;FT-0619744;D74232;A811889;W-206207;5-(Trifluoromethoxy)-1H-indole-2-carboxylic acid, AldrichCPR

Suppliers and Price of 5-(trifluoromethoxy)-1H-indole-2-carboxylic acid

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

SynQuest Laboratories
5-(Trifluoromethoxy)-1H-indole-2-carboxylic acid 97%
5 g
$ 842.00

SynQuest Laboratories
5-(Trifluoromethoxy)-1H-indole-2-carboxylic acid 97%
1 g
$ 280.00

Matrix Scientific
5-(Trifluoromethoxy)indole-2-carboxylic acid
500mg
$ 121.00

Matrix Scientific
5-(Trifluoromethoxy)indole-2-carboxylic acid
100mg
$ 31.00

Matrix Scientific
5-(Trifluoromethoxy)indole-2-carboxylic acid
1g
$ 225.00

Crysdot
5-(Trifluoromethoxy)-1H-indole-2-carboxylicacid 95+%
5g
$ 763.00

Chemenu
5-(Trifluoromethoxy)-1H-indole-2-carboxylicacid 95%
5g
$ 721.00

Apolloscientific
5-(Trifluoromethoxy)-1H-indole-2-carboxylicacid 98%
5g
$ 526.00

Apolloscientific
5-(Trifluoromethoxy)-1H-indole-2-carboxylicacid 98%
1g
$ 175.00

American Custom Chemicals Corporation
5-(TRIFLUOROMETHOXY)-1H-INDOLE-2-CARBOXYLIC ACID 95.00%
100MG
$ 142.80

Total 19 raw suppliers

Chemical Property of 5-(trifluoromethoxy)-1H-indole-2-carboxylic acid

Chemical Property:

Vapor Pressure:6.87E-06mmHg at 25°C
Melting Point:204oC
Boiling Point:362.5oC at 760 mmHg
PKA:4.25±0.30(Predicted)
Flash Point:173oC
PSA：62.32000
Density:1.581g/cm3
LogP:2.76470
Storage Temp.:2-8°C
XLogP3:3.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:2
Exact Mass:245.02997754
Heavy Atom Count:17
Complexity:308

Purity/Quality:

97% ^*data from raw suppliers

5-(Trifluoromethoxy)-1H-indole-2-carboxylic acid 97% ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xi
Hazard Codes: Xi:Irritant;
Statements: R20/21/22-36/37/38:;
Safety Statements: S22-36/37/39:;

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC2=C(C=C1OC(F)(F)F)C=C(N2)C(=O)O

Technology Process of 5-(trifluoromethoxy)-1H-indole-2-carboxylic acid

There total 3 articles about 5-(trifluoromethoxy)-1H-indole-2-carboxylic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 98.0%

: 796870-18-3
methyl 5-trifluoromethoxyindole-2-carboxylate

: 175203-84-6
5-(trifluoromethoxy)-1H-indole-2-carboxylic acid

Guidance literature:: With lithium hydroxide; water; In 1,3-dioxane; at 25 ℃; for 15h;

Reference yield: 84.0%

: 845866-79-7
2-iodo-4-(trifluoromethoxy)aniline

: 127-17-3
2-oxo-propionic acid

: 175203-84-6
5-(trifluoromethoxy)-1H-indole-2-carboxylic acid

Guidance literature:: With 1,4-diaza-bicyclo[2.2.2]octane; palladium diacetate; In N,N-dimethyl-formamide; at 105 ℃; for 4h; Inert atmosphere;
DOI:10.1016/j.bmcl.2010.03.078

Reference yield:

: 461-82-5
4-(trifluoromethoxy)aniline

: 175203-84-6
5-(trifluoromethoxy)-1H-indole-2-carboxylic acid

Guidance literature:: Multi-step reaction with 2 steps

1: iodine; silver sulfate / ethanol / 25 °C / Darkness

2: 1,4-diaza-bicyclo[2.2.2]octane; palladium diacetate / N,N-dimethyl-formamide / 4 h / 105 °C / Inert atmosphere

With 1,4-diaza-bicyclo[2.2.2]octane; iodine; palladium diacetate; silver sulfate; In ethanol; N,N-dimethyl-formamide;
DOI:10.1016/j.bmcl.2010.03.078