3-Cycloheptylpropanenitrile

Base Information

Chemical Name:3-Cycloheptylpropanenitrile
CAS No.:4448-80-0
Molecular Formula:C10H17N
Molecular Weight:
Hs Code.:
DSSTox Substance ID:DTXSID00524039
Nikkaji Number:J1.660.839D
Wikidata:Q82390609

Synonyms:3-Cycloheptylpropanenitrile;4448-80-0;3-Cycloheptylpropionitrile;SCHEMBL8099140;DTXSID00524039;MHLIWISGWFMRES-UHFFFAOYSA-N;EN300-1848739

Suppliers and Price of 3-Cycloheptylpropanenitrile

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 1 raw suppliers

Chemical Property of 3-Cycloheptylpropanenitrile

Chemical Property:

XLogP3:3.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:151.136099547
Heavy Atom Count:11
Complexity:134

Purity/Quality:: 95% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CCCC(CC1)CCC#N

Technology Process of 3-Cycloheptylpropanenitrile

There total 1 articles about 3-Cycloheptylpropanenitrile 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: 50.0%

: 119-61-9
benzophenone

: 291-64-5
cycloheptane

: 107-13-1,25014-41-9
acrylonitrile

: 71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1
benzene

: 24632-13-1
Cycloheptyl-diphenyl-carbinol

: 4401-18-7
phenylcycloheptane

: 4448-80-0
3-cycloheptylpropionitrile

Guidance literature:: for 15h; Irradiation;
DOI:10.1021/jo010400k

Reference yield: 16.7%

: 4448-80-0
3-cycloheptylpropionitrile

: 79-19-6
thiosemicarbazide

: 118313-96-5
5-(2-Cycloheptyl-ethyl)-[1,3,4]thiadiazol-2-ylamine

: 118313-98-7
5-[2-(4-Methyl-cyclohexyl)-ethyl]-[1,3,4]thiadiazol-2-ylamine

Guidance literature:: With trifluoroacetic acid;
DOI:10.1248/cpb.40.2391

Reference yield:

: 4448-80-0
3-cycloheptylpropionitrile

: 135197-56-7
3-(3-Benzoyl-thioureido)-4-cycloheptylmethyl-1H-pyrrole-2-carboxylic acid methyl ester

Guidance literature:: Multi-step reaction with 5 steps

1: NaH / tetrahydrofuran / 72 h / 55 °C

2: NaOAc / methanol; H₂O / 24 h / Ambient temperature

3: 1,5-diazabicyclo<4.3.0>non-5-ene (DBN) / CH₂Cl₂ / 0 - 20 °C

4: Na₂CO₃ / methanol / 48 h / Ambient temperature

5: CH₂Cl₂ / 1 h / Ambient temperature

With DBN; sodium acetate; sodium hydride; sodium carbonate; In tetrahydrofuran; methanol; dichloromethane; water;
DOI:10.1021/jm00065a007