6-Bromo-3-oxo-2,3-dihydro-1H-indene-1-carboxylic acid

Base Information

Chemical Name:6-Bromo-3-oxo-2,3-dihydro-1H-indene-1-carboxylic acid
CAS No.:354580-62-4
Molecular Formula:C10H7BrO3
Molecular Weight:255.06500
Hs Code.:
DSSTox Substance ID:DTXSID40695393
Mol file:354580-62-4.mol

Synonyms:354580-62-4;6-BROMO-3-OXO-2,3-DIHYDRO-1H-INDENE-1-CARBOXYLIC ACID;6-bromo-3-oxo-1,2-dihydroindene-1-carboxylic acid;DTXSID40695393;CS-0310736

Suppliers and Price of 6-Bromo-3-oxo-2,3-dihydro-1H-indene-1-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

American Custom Chemicals Corporation
6-BROMO-3-OXO-2,3-DIHYDRO-1H-INDENE-1-CARBOXYLIC ACID 95.00%
5MG
$ 496.53

Total 2 raw suppliers

Chemical Property of 6-Bromo-3-oxo-2,3-dihydro-1H-indene-1-carboxylic acid

Chemical Property:

PSA：54.37000
LogP:2.20370
XLogP3:1.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:253.95786
Heavy Atom Count:14
Complexity:277

Purity/Quality:

99% ^*data from raw suppliers

6-BROMO-3-OXO-2,3-DIHYDRO-1H-INDENE-1-CARBOXYLIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1C(C2=C(C1=O)C=CC(=C2)Br)C(=O)O

Technology Process of 6-Bromo-3-oxo-2,3-dihydro-1H-indene-1-carboxylic acid

There total 2 articles about 6-Bromo-3-oxo-2,3-dihydro-1H-indene-1-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: 74.0%

: 124-38-9,18923-20-1
carbon dioxide

: (5-bromo-3H-inden-1-yloxy)-trimethyl-silane

: 354580-62-4
5-bromo-3-oxo-2,3-dihydro-1H-indene-1-carboxylic acid

Guidance literature:: (5-bromo-3H-inden-1-yloxy)-trimethyl-silane; With lithium diisopropyl amide; In tetrahydrofuran; for 0.5h; Inert atmosphere;

carbon dioxide; In tetrahydrofuran; at -78 - 20 ℃; for 1h; Inert atmosphere;
DOI:10.1021/acsmedchemlett.1c00437

Reference yield:

: 34598-49-7
5-Bromo-1-indanone

: 354580-62-4
5-bromo-3-oxo-2,3-dihydro-1H-indene-1-carboxylic acid

Guidance literature:: Multi-step reaction with 2 steps

1.1: lithium diisopropyl amide / tetrahydrofuran / 0.5 h / -78 °C / Inert atmosphere; Sealed tube

1.2: 0.5 h / Inert atmosphere; Sealed tube

2.1: lithium diisopropyl amide / tetrahydrofuran / 0.5 h / Inert atmosphere

2.2: 1 h / -78 - 20 °C / Inert atmosphere

With lithium diisopropyl amide; In tetrahydrofuran;
DOI:10.1021/acsmedchemlett.1c00437

Reference yield:

: 354580-62-4
5-bromo-3-oxo-2,3-dihydro-1H-indene-1-carboxylic acid

: C₄₅H₆₂ClFN₆O₁₀

Guidance literature:: Multi-step reaction with 17 steps

1.1: sulfuric acid / 16 h / 60 °C / Inert atmosphere

2.1: triethylamine; formic acid; Noyori's catalyst / 1,2-dichloro-ethane / 16 h / Inert atmosphere

3.1: pyridinium p-toluenesulfonate / dichloromethane / 16 h / 20 °C / Inert atmosphere

4.1: lithium aluminium tetrahydride / diethyl ether / 3 h / 0 °C / Inert atmosphere

5.1: triphenylphosphine; 1H-imidazole; iodine / tetrahydrofuran / 2 h / 0 °C / Inert atmosphere

6.1: copper(l) iodide / tetrahydrofuran / 1.5 h / -30 °C / Sealed tube; Inert atmosphere

7.1: n-butyllithium / hexane / 0.5 h / -78 - 20 °C / Sealed tube; Inert atmosphere

8.1: dichloromethane; methanol; water / 1 h / 0 °C / Inert atmosphere

8.2: 2 h / 0 °C / Inert atmosphere

9.1: 1 h / 0 - 20 °C / Inert atmosphere

10.1: toluene-4-sulfonic acid / methanol / 1 h / 20 °C / Inert atmosphere

11.1: Dess-Martin periodane; sodium hydrogencarbonate / dichloromethane / 1 h / 0 - 20 °C / Inert atmosphere

12.1: sodium hexamethyldisilazane / tetrahydrofuran / 0.5 h / -78 °C / Inert atmosphere

13.1: ammonium acetate / ethanol / 16 h / 75 °C / Inert atmosphere

14.1: sodium cyanoborohydride; acetic acid / ethanol / 16 h / 60 °C / Inert atmosphere

15.1: lithium aluminium tetrahydride / diethyl ether / 2 h / 0 °C / Inert atmosphere

16.1: potassium carbonate; meta-nitrophenol / tetrahydrofuran / 16 h / 65 °C / Inert atmosphere

17.1: diethylazodicarboxylate; triphenylphosphine / tetrahydrofuran / 18 h / 0 - 20 °C / Inert atmosphere

With 1H-imidazole; copper(l) iodide; lithium aluminium tetrahydride; Noyori's catalyst; n-butyllithium; formic acid; meta-nitrophenol; sulfuric acid; ammonium acetate; iodine; sodium hexamethyldisilazane; pyridinium p-toluenesulfonate; sodium cyanoborohydride; sodium hydrogencarbonate; potassium carbonate; Dess-Martin periodane; toluene-4-sulfonic acid; acetic acid; triethylamine; triphenylphosphine; diethylazodicarboxylate; In tetrahydrofuran; methanol; diethyl ether; ethanol; hexane; dichloromethane; water; 1,2-dichloro-ethane;
DOI:10.1021/acsmedchemlett.1c00437