1H-Indole-1-carboxylic acid, 2-iodo-, 1,1-dimethylethyl ester

Base Information

Chemical Name:1H-Indole-1-carboxylic acid, 2-iodo-, 1,1-dimethylethyl ester
CAS No.:99275-46-4
Molecular Formula:C13H14INO2
Molecular Weight:343.16000
Hs Code.:
DSSTox Substance ID:DTXSID40442268
Nikkaji Number:J775.585F
Wikidata:Q82259453
Mol file:99275-46-4.mol

Synonyms:99275-46-4;1H-Indole-1-carboxylic acid, 2-iodo-, 1,1-dimethylethyl ester;Tert-butyl 2-iodoindole-1-carboxylate;SCHEMBL17422843;DTXSID40442268;1h-indole-1-carboxylic acid,2-iodo-,1,1-dimethylethyl ester;N-(t-butoxycarbonyl)-2-iodoindole;tert-Butyl2-iodo-1H-indole-1-carboxylate;1-(tert-Butoxycarbonyl)-2-iodo-1H-indole;tert-Butyl 2-iodo-1H-indole-1-carboxylate

Suppliers and Price of 1H-Indole-1-carboxylic acid, 2-iodo-, 1,1-dimethylethyl ester

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

Medical Isotopes, Inc.
2-Iodo-N-(tert-butoxycarbonyl)indole
5 g
$ 2200.00

Total 2 raw suppliers

Chemical Property of 1H-Indole-1-carboxylic acid, 2-iodo-, 1,1-dimethylethyl ester

Chemical Property:

PSA：31.23000
LogP:4.02910
XLogP3:4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:343.00693
Heavy Atom Count:17
Complexity:300

Purity/Quality:

99% ^*data from raw suppliers

2-Iodo-N-(tert-butoxycarbonyl)indole ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C)OC(=O)N1C2=CC=CC=C2C=C1I
Uses 2-Iodo-N-(tert-butoxycarbonyl)indole is used in the synthesis of stromelysin-1 inhibitors. Also used in the synthesis of 2-nitroindoles.

Technology Process of 1H-Indole-1-carboxylic acid, 2-iodo-, 1,1-dimethylethyl ester

There total 3 articles about 1H-Indole-1-carboxylic acid, 2-iodo-, 1,1-dimethylethyl ester 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: 88.0%

: 75400-67-8
indole-1-carboxylic acid tert-butyl ester

: 99275-46-4
2-iodoindole-1-carboxylic acid tert-butyl ester

Guidance literature:: indole-1-carboxylic acid tert-butyl ester; In tetrahydrofuran; diethyl ether; hexane; at 0 ℃; for 3h;

With iodine; In tetrahydrofuran; diethyl ether; hexane; at -40 ℃; for 16h; Further stages.;
DOI:10.1021/ja074669i

Reference yield:

: 120-72-9
indole

: 99275-46-4
2-iodoindole-1-carboxylic acid tert-butyl ester

Guidance literature:: Multi-step reaction with 2 steps

1.1: DMAP / tetrahydrofuran

1.2: 98 percent / tetrahydrofuran / 14 h / 20 °C

2.1: t-BuLi / tetrahydrofuran / 1 h / -78 °C

2.2: 67 percent / I₂ / tetrahydrofuran / 3 h / -78 °C

With dmap; tert.-butyl lithium; In tetrahydrofuran;
DOI:10.1016/j.tetlet.2004.12.112

Reference yield:

: 24424-99-5
di-tert-butyl dicarbonate

: 99275-46-4
2-iodoindole-1-carboxylic acid tert-butyl ester

Guidance literature:: Multi-step reaction with 2 steps

1.1: DMAP / tetrahydrofuran

1.2: 98 percent / tetrahydrofuran / 14 h / 20 °C

2.1: t-BuLi / tetrahydrofuran / 1 h / -78 °C

2.2: 67 percent / I₂ / tetrahydrofuran / 3 h / -78 °C

With dmap; tert.-butyl lithium; In tetrahydrofuran;
DOI:10.1016/j.tetlet.2004.12.112