tert-butyl 3-iodo-1H-indazole-1-carboxylate

Base Information

Chemical Name:tert-butyl 3-iodo-1H-indazole-1-carboxylate
CAS No.:290368-00-2
Molecular Formula:C12H13 I N2 O2
Molecular Weight:344.152
Hs Code.:2933990090
European Community (EC) Number:696-595-5
DSSTox Substance ID:DTXSID80467071
Nikkaji Number:J1.338.042B
Wikidata:Q72510245
Mol file:290368-00-2.mol

Synonyms:290368-00-2;1-Boc-3-Iodo-1H-indazole;tert-butyl 3-iodo-1H-indazole-1-carboxylate;1-Boc-3-iodoindazole;Tert-butyl 3-iodoindazole-1-carboxylate;MFCD09835520;1H-INDAZOLE-1-CARBOXYLIC ACID, 3-IODO-, 1,1-DIMETHYLETHYL ESTER;SCHEMBL155708;DTXSID80467071;DHNSGIOEVGLLOI-UHFFFAOYSA-N;AKOS015836918;1-t-butoxycarbonyl-3-iodo-1H-indazole;CS-W006628;MB07837;SS-4437;SY027959;tert-butyl3-iodo-1H-indazole-1-carboxylate;AM20050315;BB 0260409;FT-0678218

Suppliers and Price of tert-butyl 3-iodo-1H-indazole-1-carboxylate

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
tert-Butyl3-Iodo-1H-indazole-1-carboxylate
10mg
$ 45.00

Labseeker
1-BOC-3-IODO-1H-INDAZOLE 95
25g
$ 4914.00

Crysdot
tert-Butyl3-iodo-1H-indazole-1-carboxylate 98%
10g
$ 300.00

Chemenu
1-Boc-3-iodoindazole 98%
5g
$ 186.00

Chemenu
1-Boc-3-iodoindazole 98%
10g
$ 283.00

Chemcia Scientific
3-Iodo-indazole-1-carboxylicacidtert-butylester
10 G
$ 280.00

Biosynth Carbosynth
1-Boc-3-iodo-1H-indazole
25 g
$ 1010.00

Biosynth Carbosynth
1-Boc-3-iodo-1H-indazole
2 g
$ 145.00

Biosynth Carbosynth
1-Boc-3-iodo-1H-indazole
1 g
$ 83.00

Biosynth Carbosynth
1-Boc-3-iodo-1H-indazole
5 g
$ 290.00

Total 30 raw suppliers

Chemical Property of tert-butyl 3-iodo-1H-indazole-1-carboxylate

Chemical Property:

Melting Point:117℃
Boiling Point:398°Cat760mmHg
Flash Point:194.5°C
PSA：44.12000
Density:1.65g/cm³
LogP:3.42410
Storage Temp.:under inert gas (nitrogen or Argon) at 2–8 °C
XLogP3:3.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:344.00218
Heavy Atom Count:17
Complexity:303

Purity/Quality:

97% ^*data from raw suppliers

tert-Butyl3-Iodo-1H-indazole-1-carboxylate ^*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(=N1)I

Technology Process of tert-butyl 3-iodo-1H-indazole-1-carboxylate

There total 3 articles about tert-butyl 3-iodo-1H-indazole-1-carboxylate 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: 100.0%

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

: 66607-27-0
3-iodoindazole

: 290368-00-2
tert-butyl 3-iodo-1H-indazole-1-carboxylate

Guidance literature:: With triethylamine; Sonication;
DOI:10.3390/molecules23082051

Reference yield:

: 271-44-3
benzimidazole

: 290368-00-2
tert-butyl 3-iodo-1H-indazole-1-carboxylate

Guidance literature:: Multi-step reaction with 2 steps

1: 90 percent / KOH; I₂ / dimethylformamide / 2 h / 25 °C

2: 88 percent / TEA / DMAP / acetonitrile / 3 h

With potassium hydroxide; TEA; iodine; dmap; In N,N-dimethyl-formamide; acetonitrile; 1: Iodination / 2: Acylation;
DOI:10.1016/S0040-4039(00)00624-9

Reference yield:

: 34619-03-9
tert-butyldicarbonate

: 66607-27-0
3-iodoindazole

: 290368-00-2
tert-butyl 3-iodo-1H-indazole-1-carboxylate

Guidance literature:: With dmap; triethylamine; In N,N-dimethyl-formamide; at 0 - 20 ℃; for 1h; regioselective reaction;
DOI:10.1016/j.bmcl.2011.01.035