Tert-butyl 1H-indole-2-carboxylate

Base Information

Chemical Name:Tert-butyl 1H-indole-2-carboxylate
CAS No.:84117-86-2
Molecular Formula:C13H15 N O2
Molecular Weight:217.268
Hs Code.:2933990090
DSSTox Substance ID:DTXSID20466528
Nikkaji Number:J1.663.530H
Wikidata:Q82293108
Mol file:84117-86-2.mol

Synonyms:Tert-butyl 1H-indole-2-carboxylate;84117-86-2;Boc-indole;INDOLE-2-CARBOXYLIC ACID TERT-BUTYL ESTER;SCHEMBL318243;tert-Butylindole-2-carboxylate;DTXSID20466528;FMNXFKVTZJWOAD-UHFFFAOYSA-N;AKOS017559434;CS-0257709;I-2380;EN300-6759746;Z1386781617

Suppliers and Price of Tert-butyl 1H-indole-2-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

American Custom Chemicals Corporation
INDOLE-2-CARBOXYLIC ACID TERT-BUTYL ESTER 95.00%
5MG
$ 504.74

Total 5 raw suppliers

Chemical Property of Tert-butyl 1H-indole-2-carboxylate

Chemical Property:

Melting Point:103-105 °C(Solv: hexane (110-54-3))
Boiling Point:352.5±15.0 °C(Predicted)
PKA:14.99±0.30(Predicted)
PSA：42.09000
Density:1.147±0.06 g/cm3(Predicted)
LogP:3.12320
XLogP3:3.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:217.110278721
Heavy Atom Count:16
Complexity:270

Purity/Quality:

99% ^*data from raw suppliers

INDOLE-2-CARBOXYLIC ACID TERT-BUTYL ESTER 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C)OC(=O)C1=CC2=CC=CC=C2N1

Technology Process of Tert-butyl 1H-indole-2-carboxylate

There total 16 articles about Tert-butyl 1H-indole-2-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: 95.0%

: di-tert-butyl 1H-indole-1,2-dicarboxylate

: 84117-86-2
tert-butyl 1H-indole-2-carboxylate

Guidance literature:: With tetrabutyl ammonium fluoride; In tetrahydrofuran; for 5h; Heating;
DOI:10.1016/S0040-4039(01)02225-0

Reference yield: 89.0%

Indole-2-carboxylic acid: 1477-50-5,1228050-17-6
Indole-2-carboxylic acid

: 36805-97-7
N,N-dimethylformamide di-tert-butyl acetal

: 84117-86-2
tert-butyl 1H-indole-2-carboxylate

Guidance literature:: In benzene; Heating;
DOI:10.1081/SCC-200032421

Reference yield: 87.0%

: 906552-00-9
3-(2'-nitrophenyl)-(E)-propenoic acid tert-butyl ester

: 84117-86-2
tert-butyl 1H-indole-2-carboxylate

Guidance literature:: With dichloro bis(acetonitrile) palladium(II); 1,10-Phenanthroline; phenyl formate; triethylamine; In acetonitrile; at 140 ℃; for 3h; Inert atmosphere;
DOI:10.1002/cctc.201701214