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CAS Number: 417726-36-4
(S)-1-(tert-butoxycarbonyl)-1,2,3,6-tetrahydropyridine-2-carboxylic acid

Structure

(S)-1-(tert-butoxycarbonyl)-1,2,3,6-tetrahydropyridine-2-carboxylic acid
Name: (S)-1-(tert-butoxycarbonyl)-1,2,3,6-tetrahydropyridine-2-carboxylic acid
Synonyms:
General Information
Product Number: 417726364
CAS Registry Number: 417726-36-4
Name:
        1,​2(2H)​-​Pyridinedicarboxylic acid, 3,​6-​dihydro-​, 1-​(1,​1-​dimethylethyl) ester, (2S)​-
        (2S)​-​1-​[[(1,​1-​Dimethylethyl)​oxy]​carbonyl]​-​1,​2,​3,​6-​tetrahydro-​2-​pyridinecarboxylic acid 
 
Chemical Formula: C11H17NO4
Exact Mass: 227.12
Molecular Weight: 227.26
m/z: 227.12 (100.0%), 228.12 (12.2%), 229.12 (1.5%)
Elemental Analysis: C, 58.14; H, 7.54; N, 6.16; O, 28.16
 
InChIKey: SSYLTDCVONDKNS-QMMMGPOBSA-N
Canonical SMILES : CC(C)(C)OC(=O)N1CC=CCC1C(=O)O
Isomeric SMILES: CC(C)(C)OC(=O)N1CC=CC[C@H]1C(=O)O
 
Thermal Properties Value Condition Note
Melting Point 113-115 °C Solv: hexane (110-54-3) (1)CAS

Specification

98%

References
  1. (1) Alegret, Carlos; European Journal of Organic Chemistry 2008, (10), P1789-1796 CAPLUS
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