CAS Registry Number: 98977-34-5

Name:

1,​3-​Piperidinedicarboxyl​ic acid, 4-​oxo-​, 1-​(1,​1-​dimethylethyl) 3-​ethyl ester
1-​tert-​Butoxycarbonyl-​3-​(ethoxycarbonyl)​piperidin-​4-​one; 1-​tert-​Butyl 3-​ethyl 4-​oxopiperidine-​1,​3-​dicarboxylate; 4-​Oxopiperidine-​1,​3-​dicarboxylic acid 1-​tert-​butyl ester 3-​ethyl ester; Ethyl N-​tert-​butoxycarbonyl-​4-​oxo-​3-​piperidinecarboxylat​e 

Deleted CAS Registry Numbers: 150779-​91-​2

Chemical Formula: C13H21NO5
Exact Mass: 271.14
Molecular Weight: 271.31
m/z: 271.14 (100.0%), 272.15 (14.5%), 273.15 (2.0%)
Elemental Analysis: C, 57.55; H, 7.80; N, 5.16; O, 29.49

InChI: InChI=1S/C13H21NO5/c1-5-18-11(16)9-8-14(7-6-10(9)15)12(17)19-13(2,3)4/h9H,5-8H2,1-4H3
InChIKey: ABBVAMUCDQETDO-UHFFFAOYSA-N
Canonical SMILES : CCOC(=O)C1CN(CCC1=O)C(=O)OC(C)(C)C

Specification

98%

1. (1) Lacheretz, Romain; Organic Letters 2009, V11(6), P1245-1248 CAPLUS
2. (2) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
3. (3) Solymar, Magdolna; Tetrahedron: Asymmetry 2004, V15(20), P3281-3287 CAPLUS
4. (4) Lanier, Marion C.; Bioorganic & Medicinal Chemistry 2007, V15(16), P5590-5603 CAPLUS