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CAS Number: 57260-70-5
tert-butyl 4-benzylpiperazine-1-carboxylate

Structure

 tert-butyl 4-benzylpiperazine-1-carboxylate
Name: tert-butyl 4-benzylpiperazine-1-carboxylate
Synonyms:
General Information
Product Number: 57260705

CAS Registry Number 57260-70-5
Name:
1-?Piperazinecarboxylic acid, 4-?(phenylmethyl)?-?, 1,?1-?dimethylethyl ester
1-(tert-Butoxycarbonyl)-4-(phenylmethyl)piperazine
1-(tert-Butyloxycarbonyl)-4-benzylpiperazine
4-Benzylpiperazine-1-carboxylic acid tert-butyl ester
tert-Butyl 4-benzyl-1-piperazinecarboxylate

 

Chemical Formula: C16H24N2O2
Exact Mass: 276.18
Molecular Weight: 276.37
m/z: 276.18 (100.0%), 277.19 (17.7%), 278.19 (1.9%)

 

InChI:InChI=1S/C16H24N2O2/c1-16(2,3)20-15(19)18-11-9-17(10-12-18)13-14-7-5-4-6-8-14/h4-8H,9-13H2,1-3H3

InChI Key:GVHSMUYEAWMYLM-UHFFFAOYSA-N

Canonical SMILES:CC(C)(C)OC(=O)N1CCN(CC1)CC2=CC=CC=C2

 

Thermal Properties Value Condition Note
Melting Point 72-75 °C Solv: hexane (110-54-3) (8)IC
Melting Point 72-74 °C   (3)CAS
Melting Point 62-63 °C   (5)CAS

Specification

98%
References
  1. (3) Barker, Graeme; Organic Letters 2010, V12(18), P4176-4179 CAPLUS
  2. (5) Meshram, H. M.; Synthetic Communications 2009, V39(13), P2297-2303 CAPLUS
  3. (8) Herrin, Thomas R.; Journal of Medicinal Chemistry 1975, V18(12), P1216-23 CAPLUS
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