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CAS Number: 1003011-02-6
tert-butyl 5-amino-1H-pyrazole-1-carboxylate

Structure

tert-butyl 5-amino-1H-pyrazole-1-carboxylate
Name: tert-butyl 5-amino-1H-pyrazole-1-carboxylate
Synonyms:
General Information
Product Number: 1003011026

CAS Registry Number 1003011-02-6
Name:
1H-​Pyrazole-​1-​carboxylic acid, 5-​amino-​, 1,​1-​dimethylethyl ester
5-Aminopyrazole-1-carboxylic acid tert-butyl ester

 

Chemical Formula: C8H13N3O2
Exact Mass: 183.10
Molecular Weight: 183.21
m/z: 183.10 (100.0%), 184.10 (9.8%)

 

InChI:InChI=1S/C22H19ClN8/c23-17-9-11-18(12-10-17)27-21-28-20(25-14-16-6-2-1-3-7-16)29-22(30-21)31-26-15-19-8-4-5-13-24-19/h1-13,15H,14H2,(H3,25,27,28,29,30,31)/b26-15+

InChI Key:OIGXFUQKECSIRB-CVKSISIWSA-N

Canonical SMILES:C1=CC=C(C=C1)CNC2=NC(=NC(=N2)NC3=CC=C(C=C3)Cl)NN=CC4=CC=CC=N4f

Specification

98%

References

PCT Int. Appl. (2014), WO 2014128486 A1 20140828.                                 

U.S. Pat. Appl. Publ. (2008), US 20080146625 A1 20080619.

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