5,6-difluoro-1H-indole-2-carboxylic acid

Base Information

Chemical Name:5,6-difluoro-1H-indole-2-carboxylic acid
CAS No.:169674-35-5
Molecular Formula:C₉H₅F₂NO₂
Molecular Weight:197.141
Hs Code.:2933990090
European Community (EC) Number:860-786-3
DSSTox Substance ID:DTXSID90597136
Wikidata:Q72463026
Mol file:169674-35-5.mol

Synonyms:169674-35-5;5,6-difluoro-1H-indole-2-carboxylic acid;5,6-Difluoroindole-2-carboxylic acid;1H-Indole-2-carboxylicacid, 5,6-difluoro-;MFCD01863160;5,6-Difluoro-1H-indole-2-carboxylicacid;SCHEMBL1822934;DTXSID90597136;XBVUJSXNSDFADV-UHFFFAOYSA-N;BCP23365;AKOS006345773;AC-9835;GS-6226;SB15291;DB-017796;A3746;AM20030134;CS-0157280;5,6-bis(fluoranyl)-1H-indole-2-carboxylic acid;EN300-2848087;A839069;Q-103544;Z1201621474

Suppliers and Price of 5,6-difluoro-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

TRC
5,6-Difluoroindole-2-carboxylicAcid
100mg
$ 75.00

SynQuest Laboratories
5,6-Difluoroindole-2-carboxylic acid
250 mg
$ 35.00

SynQuest Laboratories
5,6-Difluoroindole-2-carboxylic acid
1 g
$ 90.00

Matrix Scientific
5,6-Difluoro-1H-indole-2-carboxylic acid 95%
5g
$ 452.00

Matrix Scientific
5,6-Difluoro-1H-indole-2-carboxylic acid 95%
25g
$ 1129.00

Labseeker
5,6-DIFLUOROINDOLE-2-CARBOXYLICACID 95
10g
$ 616.00

Crysdot
5,6-Difluoro-1H-indole-2-carboxylicacid 97%
25g
$ 600.00

Crysdot
5,6-Difluoro-1H-indole-2-carboxylicacid 97%
1g
$ 75.00

Crysdot
5,6-Difluoro-1H-indole-2-carboxylicacid 97%
5g
$ 200.00

Crysdot
5,6-Difluoro-1H-indole-2-carboxylicacid 97%
10g
$ 380.00

Total 60 raw suppliers

Chemical Property of 5,6-difluoro-1H-indole-2-carboxylic acid

Chemical Property:

Vapor Pressure:0.00208mmHg at 25°C
Refractive Index:1.657
Boiling Point:427.4 °C at 760 mmHg
PKA:4.21±0.30(Predicted)
Flash Point:212.3 °C
PSA：53.09000
Density:1.605 g/cm³
LogP:2.14430
Storage Temp.:2-8°C
Sensitive.:Light Sensitive
XLogP3:2.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:197.02883473
Heavy Atom Count:14
Complexity:249

Purity/Quality:

99% ^*data from raw suppliers

5,6-Difluoroindole-2-carboxylicAcid ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xi
Hazard Codes:Xi
Statements: 36/37/38
Safety Statements: 26-37/39

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=C2C=C(NC2=CC(=C1F)F)C(=O)O

Technology Process of 5,6-difluoro-1H-indole-2-carboxylic acid

There total 3 articles about 5,6-difluoro-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: 96.0%

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

: 847685-01-2
2-iodo-4,5-difluoroaniline

: 169674-35-5
5,6-difluoro-1H-indole-2-carboxylic acid

Guidance literature:: With 1,4-diaza-bicyclo[2.2.2]octane; palladium diacetate; In N,N-dimethyl-formamide; at 20 - 100 ℃; for 18h; Inert atmosphere;
DOI:10.1016/j.bmcl.2020.127533

Reference yield:

: 169674-34-4
ethyl 5,6-difluoro-1H-indole-2-carboxylate

: 169674-35-5
5,6-difluoro-1H-indole-2-carboxylic acid

Guidance literature:: With hydrogenchloride; sodium hydroxide; In ethanol;

Reference yield:

: 3863-11-4
3,4-difluoroaniline

: 169674-35-5
5,6-difluoro-1H-indole-2-carboxylic acid

Guidance literature:: Multi-step reaction with 2 steps

1: iodine; sodium hydrogencarbonate / water / 0.5 h / 20 °C

2: 1,4-diaza-bicyclo[2.2.2]octane; palladium diacetate / N,N-dimethyl-formamide / 18 h / 20 - 100 °C / Inert atmosphere

With 1,4-diaza-bicyclo[2.2.2]octane; iodine; palladium diacetate; sodium hydrogencarbonate; In water; N,N-dimethyl-formamide;
DOI:10.1016/j.bmcl.2020.127533