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CAS Number: 88495-54-9
(S)-1-(tert-butoxycarbonyl)piperidine-3-carboxylic acid

Structure

(S)-1-(tert-butoxycarbonyl)piperidine-3-carboxylic acid
Name: (S)-1-(tert-butoxycarbonyl)piperidine-3-carboxylic acid
Synonyms:
General Information
Product Number: 88495549
CAS Registry Number: 88495-54-9
Name:
1,​3-​Piperidinedicarboxyl​ic acid, 1-​(1,​1-​dimethylethyl) ester, (3S)​-
1,​3-​Piperidinedicarboxyl​ic acid, 1-​(1,​1-​dimethylethyl) ester, (S)​-; (3S)​-​1-​(tert-​Butoxycarbonyl)​-​3-​piperidinecarboxylic acid; (3S)​-​1-​(tert-​Butoxycarbonyl)​piperidine-​3-​carboxylic acid; (3S)​-​1-​[[(1,​1-​Dimethylethyl)​oxy]​carbonyl]​-​3-​piperidinecarboxylic acid; (S)​-​(+)​-​N-​Boc-​nipecotic acid; (S)​-​1-​(tert-​Butoxycarbonyl)​piperidine-​3-​carboxylic acid; (S)​-​N-​(tert-​Butoxycarbonyl)​nipecotic acid; (S)​-​N-​Boc-​nipecotic acid; tert-​Butyl (S)​-​3-​carboxypiperidine-​1-​carboxylate 
 
Chemical Formula: C11H19NO4
Exact Mass: 229.13
Molecular Weight: 229.27
m/z: 229.13 (100.0%), 230.13 (12.3%), 231.14 (1.5%)
Elemental Analysis: C, 57.62; H, 8.35; N, 6.11; O, 27.91
 
InChI: InChI=1S/C11H19NO4/c1-11(2,3)16-10(15)12-6-4-5-8(7-12)9(13)14/h8H,4-7H2,1-3H3,(H,13,14)/t8-/m0/s1
InChIKey: NXILIHONWRXHFA-QMMMGPOBSA-N
Canonical SMILES : CC(C)(C)OC(=O)N1CCCC(C1)C(=O)O
Isomeric SMILES: CC(C)(C)OC(=O)N1CCC[C@@H](C1)C(=O)O
 
Thermal Properties Value Condition Note
Melting Point 160-161 °C   (1)CAS

Specification

98%

References
  1. (1) Gessier, Francois; Helvetica Chimica Acta 2005, V88(8), P2235-2249 CAPLUS
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