CAS:475102-10-4 / tert-butyl 5-cyano-1H-indole-1-carboxylate--Hangzhou Chempro Technology Co., Ltd.

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CAS Number: 475102-10-4
tert-butyl 5-cyano-1H-indole-1-carboxylate

Structure
Name: tert-butyl 5-cyano-1H-indole-1-carboxylate
Synonyms:

General Information

Product Number: 475102104

CAS Registry Number 475102-10-4
Name:
1H-Indole-1-carboxylic acid, 5-cyano-, 1,1-dimethylethyl ester
N-(tert-Butoxycarbonyl)-5-cyanoindole
tert-Butyl 5-cyano-1H-indole-1-carboxylate

Chemical Formula: C14H14N2O2
Exact Mass: 242.11
Molecular Weight: 242.27
m/z: 242.11 (100.0%), 243.11 (15.4%), 244.11 (1.6%)

InChI:InChI=1S/C14H14N2O2/c1-14(2,3)18-13(17)16-7-6-11-8-10(9-15)4-5-12(11)16/h4-8H,1-3H3

InChI Key:OYPSWAHXXPMBGM-UHFFFAOYSA-N

Canonical SMILES:CC(C)(C)OC(=O)N1C=CC2=C1C=CC(=C2)C#N

Thermal Properties	Value	Condition	Note
Melting Point	128-129 °C	Solv: ethanol (64-17-5); hexane (110-54-3)	(3)CAS
Melting Point	128 °C		(1)CAS

Specification

98%

References

(1) Seggio, Anne; Synthesis 2009, (21), P3617-3632 CAPLUS
(3) Kumar, Arvind; Synthesis 2008, (5), P707-710 CAPLUS

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