(1-Cyano-2-methylbutyl)carbamic acid tert-butyl ester

Base Information

• Chemical Name: (1-Cyano-2-methylbutyl)carbamic acid tert-butyl ester
• CAS No.: 115654-61-0
• Molecular Formula: C₁₁H₂₀N₂O₂
• Molecular Weight: 212.292
• DSSTox Substance ID: DTXSID301170726
• Nikkaji Number: J3.175.338D
• Mol file: 115654-61-0.mol

Synonyms:Boc-L-Ile-nitrile;(1-Cyano-2-methylbutyl)carbamic acid tert-butyl ester;115654-61-0;TERT-BUTYL N-(1-CYANO-2-METHYLBUTYL)CARBAMATE;DTXSID301170726;LS-14005;Carbamic acid, (1-cyano-2-methylbutyl)-, 1,1-dimethylethyl ester

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Chemical Property of (1-Cyano-2-methylbutyl)carbamic acid tert-butyl ester

Chemical Property:

• Appearance/Colour: liquid
• Boiling Point: 412.2 °C at 760 mmHg
• Flash Point: 203.1 °C
• PSA: 30.49000
• Density: 1.049 g/cm³
• LogP: 1.95660
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 212.152477885
• Heavy Atom Count: 15
• Complexity: 260

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)C(C#N)NC(=O)OC(C)(C)C

Technology Process of (1-Cyano-2-methylbutyl)carbamic acid tert-butyl ester

There total 1 articles about (1-Cyano-2-methylbutyl)carbamic acid tert-butyl ester 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: 76.0%

P-toluenesulfonyl cyanide (19158-51-1) + C10H21NO2 (1438843-06-1) → tert-butyl 1-cyano-2-methylbutylcarbamate (115654-61-0)

Guidance literature:

With benzophenone; In acetonitrile; at 20 ℃; for 10h; Reagent/catalyst; Time; Inert atmosphere; UV-irradiation;

DOI:10.1055/s-0032-1318325

upstream raw materials:

P-toluenesulfonyl cyanide

C₁₀H₂₁NO₂