(R)-1-N-Boc-2-cyano-piperidine

Base Information

• Chemical Name: (R)-1-N-Boc-2-cyano-piperidine
• CAS No.: 940000-26-0
• Molecular Formula: C₁₁H₁₈N₂O₂
• Molecular Weight: 210.276
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID50427127
• Wikidata: Q72459005
• Mol file: 940000-26-0.mol

Synonyms:940000-26-0;(R)-1-boc-2-Cyanopiperidine;(R)-1-N-Boc-2-cyano-piperidine;(r)-tert-butyl 2-cyanopiperidine-1-carboxylate;tert-butyl (2R)-2-cyanopiperidine-1-carboxylate;(r)-1-n-boc-2-cyanopiperidine;tert-butyl (R)-2-cyanopiperidine-1-carboxylate;1-piperidinecarboxylic acid, 2-cyano-, 1,1-dimethylethyl ester, (2r)-;SCHEMBL82202;DTXSID50427127;LKAJZBMOVZIKHA-SECBINFHSA-N;AMY34557;MFCD05864606;AKOS007930629;AC-9197;DS-13465;CS-0052943;B66752;1,1-dimethylethyl (2R)-2-cyano-1-piperidinecarboxylate

Chemical Property of (R)-1-N-Boc-2-cyano-piperidine

Chemical Property:

• Vapor Pressure: 0.000232mmHg at 25°C
• Refractive Index: 1.487
• Boiling Point: 325.3 °C at 760 mmHg
• Flash Point: 150.5 °C
• PSA: 53.33000
• Density: 1.07 g/cm³
• LogP: 2.23748
• Storage Temp.: 2-8°C
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 210.136827821
• Heavy Atom Count: 15
• Complexity: 285

Purity/Quality:

97% ^*data from raw suppliers

(R)-1-Boc-2-Cyanopiperidine 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N1CCCCC1C#N
• Isomeric SMILES: CC(C)(C)OC(=O)N1CCCC[C@@H]1C#N

Technology Process of (R)-1-N-Boc-2-cyano-piperidine

There total 2 articles about (R)-1-N-Boc-2-cyano-piperidine which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 99.0%

tert-butyl (R)-2-carbamoylpiperidine-1-carboxyl-ate (848488-91-5) → 1,1-dimethylethyl (2R)-2-cyano-1-piperidinecarboxylate (940000-26-0)

Guidance literature:

With triethylamine; trifluoroacetic anhydride; In tetrahydrofuran; at 0 ℃; for 1h;

Reference yield:

N-BOC-D-pipecolic acid (28697-17-8) → 1,1-dimethylethyl (2R)-2-cyano-1-piperidinecarboxylate (940000-26-0)

Guidance literature:

Multi-step reaction with 2 steps

1.1: triethylamine; methyl chloroformate / tetrahydrofuran / 0 °C

1.2: 4 h / 0 - 20 °C

2.1: triethylamine; trifluoroacetic anhydride / tetrahydrofuran / 1 h / 0 °C

With triethylamine; methyl chloroformate; trifluoroacetic anhydride; In tetrahydrofuran;

upstream raw materials:

tert-butyl (R)-2-carbamoylpiperidine-1-carboxyl-ate

N-BOC-D-pipecolic acid

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