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CAS Number: 193818-13-2
3-(4-(tert-butoxycarbonyl)piperazin-1-yl)benzoic acid

Structure

 3-(4-(tert-butoxycarbonyl)piperazin-1-yl)benzoic acid
Name: 3-(4-(tert-butoxycarbonyl)piperazin-1-yl)benzoic acid
Synonyms:
General Information
Product Number: 193818132

CAS Registry Number 193818-13-2
Name:
1-?Piperazinecarboxylic acid, 4-?(3-?carboxyphenyl)?-?, 1-?(1,?1-?dimethylethyl) ester
3-[4-(tert-Butoxycarbonyl)piperazin-1-yl]benzoic acid
tert-Butyl 4-(3-carboxyphenyl)piperazine-1-carboxylate

 

Chemical Formula: C16H22N2O4
Exact Mass: 306.16
Molecular Weight: 306.36
m/z: 306.16 (100.0%), 307.16 (17.7%), 308.16 (2.4%)

 

InChI:InChI=1S/C16H22N2O4/c1-16(2,3)22-15(21)18-9-7-17(8-10-18)13-6-4-5-12(11-13)14(19)20/h4-6,11H,7-10H2,1-3H3,(H,19,20)

InChI Key:CUQKZVZRDLXPHZ-UHFFFAOYSA-N

Canonical SMILES:CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=CC(=C2)C(=O)O

Specification

98%
References

PCT Int. Appl. (2014), WO 2014100719 A2 20140626.

PCT Int. Appl. (2013), WO 2013000943 A1 20130103.                                 
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