2-cyano-N-cycloheptylacetamide

Base Information

• Chemical Name: 2-cyano-N-cycloheptylacetamide
• CAS No.: 15029-39-7
• Molecular Formula: C₁₀H₁₆N₂O
• Molecular Weight: 180.25
• Hs Code.: 2926909090
• DSSTox Substance ID: DTXSID701305529
• Mol file: 15029-39-7.mol

Synonyms:2-cyano-N-cycloheptylacetamide;15029-39-7;MFCD01337628;Oprea1_677889;SCHEMBL6321675;2-Cyano-N-cycloheptyl-acetamide;DTXSID701305529;STK423082;AKOS003249927;LS-02930;AK-968/11845899

Chemical Property of 2-cyano-N-cycloheptylacetamide

Chemical Property:

• Boiling Point: 391.7±21.0 °C(Predicted)
• PKA: 5.54±0.10(Predicted)
• PSA: 52.89000
• Density: 1.03±0.1 g/cm3(Predicted)
• LogP: 2.12998
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 180.126263138
• Heavy Atom Count: 13
• Complexity: 208

Purity/Quality:

98%min ^*data from raw suppliers

2-Cyano-N-cycloheptylacetamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCCC(CC1)NC(=O)CC#N

Technology Process of 2-cyano-N-cycloheptylacetamide

There total 1 articles about 2-cyano-N-cycloheptylacetamide 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:

cycloheptanamine (5452-35-7) + ethyl 2-cyanoacetate (105-56-6) → N-Cycloheptyl-cyanacetamid (15029-39-7)

Guidance literature:

In ethanol; Heating;

DOI:10.1021/jm00314a008

Reference yield: 83.0%

N-Cycloheptyl-cyanacetamid (15029-39-7) + 4-chlorobenzaldehyde (104-88-1) → 3-(4-chlorophenyl)-2-cyano-N-cycloheptylacrylamide

Guidance literature:

With piperidine; In toluene; for 15h; Heating;

DOI:10.1007/s11172-006-0204-4

Reference yield:

N-Cycloheptyl-cyanacetamid (15029-39-7) → 3-(4-chlorophenyl)-2-cyano-N-cycloheptylthioacrylamide

Guidance literature:

Multi-step reaction with 2 steps

1: 83 percent / piperidine / toluene / 15 h / Heating

2: 70 percent / Lawesson's reagent / toluene / 10 h / Heating

With piperidine; Lawessons reagent; In toluene;

DOI:10.1007/s11172-006-0204-4

upstream raw materials:

cycloheptanamine

ethyl 2-cyanoacetate