673927

Ethyl N-Boc-4-methylpiperidine-4-carboxylate

97%

• Synonym(s): 1-tert-Butoxycarbonyl-4-methylpiperidine-4-carboxylic acid ethyl ester, 4-Methyl-1,4-piperidinedicarboxylic acid 1-(1,1-dimethylethyl) 4-ethyl ester
• Empirical Formula (Hill Notation): C₁₄H₂₅NO₄
• CAS Number: 189442-87-3
• Molecular Weight: 271.35
• MDL number: MFCD08689955
• UNSPSC Code: 12352100
• PubChem Substance ID: 24885188
• NACRES: NA.22

Properties

• Assay: 97%
• refractive index: n20/D 1.4554
• density: 1.0134 g/mL at 25 °C
• SMILES string: CCOC(=O)C1(C)CCN(CC1)C(=O)OC(C)(C)C
• InChI: 1S/C14H25NO4/c1-6-18-11(16)14(5)7-9-15(10-8-14)12(17)19-13(2,3)4/h6-10H2,1-5H3
• InChI key: ZQZVWDXMUCTNRI-UHFFFAOYSA-N

Description

Application

Reactant for synthesis of:

• Dipeptidyl peptidase-4 inhibitor ABT-279
• Building blocks for piperazine-based CCR5 antagonists

Replacement of the ester function with an amino group provides a key building block for piperazine-based CCR5 antagonists.

Safety Information

• Pictograms: GHS06,GHS05
• Signal Word: Danger
• Hazard Statements: H301,H315,H318,H335
• Precautionary Statements: P261 - P264 - P280 - P301 + P310 - P302 + P352 - P305 + P351 + P338
• Hazard Classifications: Acute Tox. 3 Oral - Eye Dam. 1 - Skin Irrit. 2 - STOT SE 3
• Target Organs: Respiratory system
• Storage Class Code: 6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
• WGK: WGK 3
• Flash Point(F): >230.0 °F
• Flash Point(C): > 110 °C
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves