tert-Amylisocyanide

Base Information

• Chemical Name: tert-Amylisocyanide
• CAS No.: 13947-76-7
• Molecular Formula: C6H11N
• Molecular Weight: 97.16
• DSSTox Substance ID: DTXSID60373424
• Nikkaji Number: J2.511.846D,J2.447.276K
• Wikidata: Q82161580
• Mol file: 13947-76-7.mol

Synonyms:tert-Amylisocyanide;2-isocyano-2-methylbutane;13947-76-7;Butane, 2-isocyano-2-methyl-;tert-Pentyl isocyanide;(tert-Pentylimino)carbene;DTXSID60373424;AKOS006278837;GS-0308;EN300-1840197

Chemical Property of tert-Amylisocyanide

Chemical Property:

• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 97.089149355
• Heavy Atom Count: 7
• Complexity: 94

Purity/Quality:

99.90% ^*data from raw suppliers

TERT-AMYLISOCYANIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)(C)[N+]#[C-]

Technology Process of tert-Amylisocyanide

There total 3 articles about tert-Amylisocyanide 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: 88.0%

1,1-dimethylpropyl-formamide (23602-10-0) → 2-isocyano-2-methylbutane (13947-76-7)

Guidance literature:

With p-toluenesulfonyl chloride; under 0.5 Torr;

DOI:10.1021/ja00228a035

Reference yield:

2-methyl-2-butylamine (594-39-8) → 2-isocyano-2-methylbutane (13947-76-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 67 percent

2: 88 percent / 4-toluenesulfonyl choride / 0.5 Torr

With p-toluenesulfonyl chloride;

DOI:10.1021/ja00228a035

Reference yield:

hydrogen cyanide (74-90-8) + 2-Methyl-1-butene (563-46-2) → 2-isocyano-2-methylbutane (13947-76-7)

Guidance literature:

With copper(I) bromide;

DOI:10.1021/jo01350a069

upstream raw materials:

hydrogen cyanide

2-Methyl-1-butene

1,1-dimethylpropyl-formamide

2-methyl-2-butylamine

Downstream raw materials:

N-(3-Chloro-5-cyanophenyl)-N'-tert-pentylcarbodiimide

Refernces