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CAS Number: 84358-13-4
1-(tert-butoxycarbonyl)piperidine-4-carboxylic acid

Structure

1-(tert-butoxycarbonyl)piperidine-4-carboxylic acid
Name: 1-(tert-butoxycarbonyl)piperidine-4-carboxylic acid
Synonyms:
General Information
Product Number: 84358134

CAS Registry Number: 84358-13-4

Name:

1,​4-​Piperidinedicarboxyl​ic acid, 1-​(1,​1-​dimethylethyl) ester
1-​(1,​1-​Dimethylethoxycarbon​yl)​piperidine-​4-​carboxylic acid; 1-​(1,​1-​Dimethylethyl) 1,​4-​piperidinedicarboxyl​ate; 1-​Boc-​piperidine-​4-​carboxylic acid; 1-​[(tert-​Butyl)​oxycarbonyl]​piperidine-​4-​carboxylic acid; 1-​[[(1,​1-​Dimethylethyl)​oxy]​carbonyl]​-​4-​piperidinecarboxylic acid; 1-​tert-​Butoxycarbonyl-​4-​piperidinecarboxylic acid; 1-​tert-​Butoxycarbonylisonip​ecotic acid; 4-​Carboxy-​1-​(tert-​butoxycarbonyl)​piperidine; 4-​Carboxypiperidine-​1-​carboxylic acid tert-​butyl ester; N-​(tert-​Butoxycarbonyl)​isonipecotic acid; N-​(tert-​Butoxycarbonyl)​isonipecotinic acid; N-​(tert-​Butyloxycarbonyl)​isonipecotic acid; N-​(tert-​Butyloxycarbonyl)​piperidine-​4-​carboxylic acid; N-​Boc-​piperidine-​4-​carboxylic acid; N-​tert-​Butoxycarbonyl-​4-​piperidinecarboxylic acid; N-​tert-​Butoxycarbonyl-​4-​piperidylcarboxylic acid; NSC 693924; Piperidine-​1,​4-​dicarboxylic acid 1-​tert-​butyl ester; Piperidine-​1,​4-​dicarboxylic acid mono tert-​butyl ester; Piperidine-​1,​4-​dicarboxylic acid mono-​tert-​butyl ester; tert-​butyl 4-​carboxy-​1-​piperidinecarboxylat​e 

 

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)12-6-4-8(5-7-12)9(13)14/h8H,4-7H2,1-3H3,(H,13,14)
InChIKey: JWOHBPPVVDQMKB-UHFFFAOYSA-N
Canonical SMILES : CC(C)(C)OC(=O)N1CCC(CC1)C(=O)O

 

Thermal Properties Value Condition Note
Melting Point 148-150 °C   (7)CAS
Melting Point 146-150 °C   (8)IC
Melting Point 146-148 °C (decomp)   (2)CAS
Melting Point 135-137 °C   (3)CAS
Melting Point 135-137 °C Solv: water (7732-18-5); ethanol (64-17-5) (4)IC

 

Specification

98%

References
  1. (1) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
  2. (2) Winkler, Margit; Advanced Synthesis & Catalysis 2007, V349(8+9), P1475-1480 CAPLUS
  3. (3) Fun, Hoong-Kun; Acta Crystallographica, Section E: Structure Reports Online 2011, V67(9), Po2215 CAPLUS
  4. (4) Crider, A. Michael; Journal of Pharmaceutical Sciences 1982, V71(11), P1214-19 CAPLUS
  5. (5) Lee, Koo; WO 2005047251 A1 2005 CAPLUS
  6. (6) Linden, Joel M.; WO 2003029264 A2 2003 CAPLUS
  7. (7) Paruszewski, Ryszard; Protein and Peptide Letters 2003, V10(5), P475-482 CAPLUS
  8. (8) Carr, Albert A.; EP 317997 A2 1989 CAPLUS
  9. (9) Arkin, Michelle R.; WO 2003051797 A2 2003 CAPLUS
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