Product Name

  • Name

    L-1-Boc-Nipecotic acid

  • EINECS
  • CAS No. 88495-54-9
  • Article Data55
  • CAS DataBase
  • Density 1.164 g/cm3
  • Solubility
  • Melting Point 159-162 °C(lit.)
  • Formula C11H19NO4
  • Boiling Point 353.2 °C at 760 mmHg
  • Molecular Weight 229.276
  • Flash Point 167.4 °C
  • Transport Information UN 3077 9/PG 3
  • Appearance White solid
  • Safety 26-36-61
  • Risk Codes 36/37/38
  • Molecular Structure Molecular Structure of 88495-54-9 (L-1-Boc-Nipecotic acid)
  • Hazard Symbols IrritantXi, DangerousN
  • Synonyms 1,3-Piperidinedicarboxylicacid, 1-(1,1-dimethylethyl) ester, (S)-;(3S)-1-(tert-Butoxycarbonyl)-3-piperidinecarboxylicacid;(3S)-1-(tert-Butoxycarbonyl)piperidine-3-carboxylic acid;(3S)-1-[[(1,1-Dimethylethyl)oxy]carbonyl]-3-piperidinecarboxylic acid;(S)-(+)-N-Boc-nipecotic acid;(S)-N-(tert-Butoxycarbonyl)nipecotic acid;(S)-N-Boc-nipecotic acid;1,3-Piperidinedicarboxylicacid, 1-(1,1-dimethylethyl) ester, (3S)-;
  • PSA 66.84000
  • LogP 1.65600

L-1-Boc-Nipecotic acid Chemical Properties

IUPAC Name: (3S)-1-[(2-Methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid 
Following is the structure of L-1-Boc-Nipecotic acid (CAS NO.88495-54-9):
                       
Empirical Formula: C11H19NO4
Molecular Weight: 229.2729
Index of Refraction: 1.496
Molar Refractivity: 57.54 cm3
Molar Volume: 196.9 cm3
Density: 1.164 g/cm3
Flash Point: 167.4 °C
Melting point: 159-162 °C
Polarizability: 22.81 10-24cm3
Surface Tension: 44.7 dyne/cm
Storage temp.: Store at 0-5 °C
Enthalpy of Vaporization: 65.71 kJ/mol
Boiling Point: 353.2 °C at 760 mmHg
Vapour Pressure: 6.15E-06 mmHg at 25 °C
Appearance of L-1-Boc-Nipecotic acid (CAS NO.88495-54-9): White solid
Product Categories: pharmacetical; chiral; Chiral Reagent; Piperidines; piperidine
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
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

L-1-Boc-Nipecotic acid Safety Profile

Hazard Codes: IrritantXi,DangerousN
Risk Statements: 36/37/38-50 
R36/37/38:Irritating to eyes, respiratory system and skin. 
R50:Very toxic to aquatic organisms.
Safety Statements: 26-36-61 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36:Wear suitable protective clothing. 
S61:Avoid release to the environment. Refer to special instructions / safety data sheets.
RIDADR: UN 3077 9/PG 3
WGK Germany: 3
HazardClass of L-1-Boc-Nipecotic acid (CAS NO.88495-54-9): IRRITANT

L-1-Boc-Nipecotic acid Specification

 L-1-Boc-Nipecotic acid , its cas register number 88495-54-9. It also can be called (3R)-1-(tert-Butoxycarbonyl)piperidine-3-carboxylic acid ; 1-(tert-Butoxycarbonyl)piperidine-3-carboxylic acid ; 1,3-piperidinedicarboxylic acid, 1-(1,1-dimethylethyl) ester ; and 1,3-piperidinedicarboxylic acid, 1-(1,1-dimethylethyl) ester, (3S)- .
 

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