N-Boc-piperidine-4-carbonitrile , 97% , 91419-52-2

Synonym(s):
1,1-Dimethylethyl 4-cyano-1-piperidinecarboxylate;1-Boc-4-cyanopiperidine;4-Cyano-1-piperidinecarboxylic acid 1,1-dimethylethyl ester

CAS NO.：91419-52-2

Empirical Formula: C11H18N2O2

Molecular Weight: 210.27

MDL number: MFCD01861223

PRODUCT Properties

• Melting point: 60-63 °C
• Boiling point: 325.3±35.0 °C(Predicted)
• Density: 1.07±0.1 g/cm3(Predicted)
• storage temp.: 2-8°C
• solubility: Chloroform
• pka: -3.08±0.40(Predicted)
• form: Crystalline Powder
• color: White to off-white
• InChI: InChI=1S/C11H18N2O2/c1-11(2,3)15-10(14)13-6-4-9(8-12)5-7-13/h9H,4-7H2,1-3H3
• InChIKey: UQADQTBQNVARAP-UHFFFAOYSA-N
• SMILES: N1(C(OC(C)(C)C)=O)CCC(C#N)CC1
• CAS DataBase Reference: 91419-52-2(CAS DataBase Reference)

Description and Uses

Reactant for synthesis of:

• Aminomethylated fluoropiperidines
• Protein kinase B inhibitors
• GlyT1 inhibitors
• Piperidinecarboxylic acids via nitrilase-catalyzed enantioselective synthesis

Reactant for

• Replacement in CB2 receptor inhibitors
• Double addition reactions of methyllithium and n-butyllithium to unsaturated nitriles

Safety

• Symbol(GHS): GHS09,GHS06,GHS07
• Signal word: Warning
• Hazard statements: H312-H331-H301+H311+H331-H315-H302-H319-H400
• Precautionary statements: P273-P305+P351+P338-P261-P264-P270-P271-P280-P301+P310+P330-P302+P352+P312+P361+P364-P304+P340+P311-P305+P351+P338+P337+P313-P403+P233-P405-P501-P280h-P304+P340-P311a-P501a
• Hazard Codes: Xn,N
• Risk Statements: 20/21/22-50-36-22
• Safety Statements: 36-36/37/39-61-26
• RIDADR: 3439
• WGK Germany: 3
• Hazard Note: Harmful
• HazardClass: 6.1
• PackingGroup: III
• HS Code: 29333990
• Limited Quantities: 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
• Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)