Cycloheptyl isocyanide

Base Information

• Chemical Name: Cycloheptyl isocyanide
• CAS No.: 134420-07-8
• Molecular Formula: C8H13N
• Molecular Weight: 123.19552
• Hs Code.: 2926909090
• DSSTox Substance ID: DTXSID60374113
• Nikkaji Number: J418.625G
• Wikidata: Q82162610
• Mol file: 134420-07-8.mol

Synonyms:cycloheptyl isocyanide;isocyanocycloheptane;134420-07-8;cycloheptylisocyanide, AldrichCPR;DTXSID60374113;BBL021247;MFCD02664622;STK893953;AKOS005144176;BS-25639;EN300-1843871

Chemical Property of Cycloheptyl isocyanide

Chemical Property:

• PSA: 0.00000
• LogP: 1.85920
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 123.104799419
• Heavy Atom Count: 9
• Complexity: 112

Purity/Quality:

98%min ^*data from raw suppliers

Cycloheptylisocyanide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: [C-]#[N+]C1CCCCCC1

Technology Process of Cycloheptyl isocyanide

There total 2 articles about Cycloheptyl isocyanide 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: 78.0%

N-Cycloheptylformamide (87055-65-0) → cycloheptyl isonitrile (134420-07-8)

Guidance literature:

With tetrachloromethane; triethylamine; triphenylphosphine; In dichloromethane; for 3.5h; Heating;

DOI:10.1055/s-1991-26628

Reference yield:

cycloheptanamine (5452-35-7) → cycloheptyl isonitrile (134420-07-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 95 percent / 3 h / Heating

2: 78 percent / CCl₄, PPh₃, NEt₃ / CH₂Cl₂ / 3.5 h / Heating

With tetrachloromethane; triethylamine; triphenylphosphine; In dichloromethane;

DOI:10.1055/s-1991-26628

Reference yield: 89.0%

3-(2-oxo-propoxy)-5-phenyl-thiophene-2-carboxylic acid (886211-04-7) + cycloheptyl isonitrile (134420-07-8) + para-methylbenzylamine (104-84-7) → N-cycloheptyl-3-methyl-4-(4-methylbenzyl)-5-oxo-7-phenyl-2,3,4,5-tetrahydrothieno[2,3-f][1,4]oxazepine-3-carboxamide

Guidance literature:

In methanol; at 50 ℃; for 8h;

DOI:10.1016/j.tetlet.2006.01.158

upstream raw materials:

N-Cycloheptylformamide

cycloheptanamine

Downstream raw materials:

Cyano-acetic acid 1-cycloheptylcarbamoyl-2-oxo-2-phenyl-ethyl ester

Cyano-acetic acid 2-(4-chloro-phenyl)-1-cycloheptylcarbamoyl-2-oxo-ethyl ester

Refernces