1-Azabicyclo[2.2.1]heptane-4-carbonitrile

Base Information

Chemical Name:1-Azabicyclo[2.2.1]heptane-4-carbonitrile
CAS No.:133366-28-6
Molecular Formula:C7H10N2
Molecular Weight:0
Hs Code.:
DSSTox Substance ID:DTXSID30576506
Wikidata:Q82466239
Mol file:133366-28-6.mol

Synonyms:1-AZABICYCLO[2.2.1]HEPTANE-4-CARBONITRILE;133366-28-6;1-Azabicyclo[2.2.1]heptane-4-carbonitrile(9CI);SCHEMBL9049338;DTXSID30576506;AT36591;EN300-7327340

Suppliers and Price of 1-Azabicyclo[2.2.1]heptane-4-carbonitrile

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 4 raw suppliers

Chemical Property of 1-Azabicyclo[2.2.1]heptane-4-carbonitrile

Chemical Property:

PSA：27.03000
LogP:0.54368
XLogP3:0.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:0
Exact Mass:122.084398327
Heavy Atom Count:9
Complexity:169

Purity/Quality:: 98%min ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1CN2CCC1(C2)C#N

Technology Process of 1-Azabicyclo[2.2.1]heptane-4-carbonitrile

There total 5 articles about 1-Azabicyclo[2.2.1]heptane-4-carbonitrile 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: 82.0%

: 119103-03-6
1-azabicyclo[2.2.1]hept-4-yl carboxamide

: 133366-28-6
4-cyano-1-azabicyclo<2.2.1>heptane

Guidance literature:: With pyridine; trifluoroacetic anhydride; In tetrahydrofuran; for 0.25h;
DOI:10.1021/jm00091a007

Reference yield:

: 119102-24-8
ethyl 1-azabicyclo<2.2.1>hept-4-yl carboxylate

: 133366-28-6
4-cyano-1-azabicyclo<2.2.1>heptane

Guidance literature:: Multi-step reaction with 4 steps

1: aq. HCl / 17 h / Heating

2: SOCl₂ / 4.25 h / Heating

3: ammonia / CH₂Cl₂ / -40 - 20 °C

4: 82 percent / TFAA, pyridine / tetrahydrofuran / 0.25 h

With pyridine; hydrogenchloride; thionyl chloride; ammonia; trifluoroacetic anhydride; In tetrahydrofuran; dichloromethane;
DOI:10.1021/jm00091a007

Reference yield:

: 119102-95-3
1-Aza-bicyclo[2.2.1]heptane-4-carboxylic acid; hydrochloride

: 133366-28-6
4-cyano-1-azabicyclo<2.2.1>heptane

Guidance literature:: Multi-step reaction with 3 steps

1: SOCl₂ / 4.25 h / Heating

2: ammonia / CH₂Cl₂ / -40 - 20 °C

3: 82 percent / TFAA, pyridine / tetrahydrofuran / 0.25 h

With pyridine; thionyl chloride; ammonia; trifluoroacetic anhydride; In tetrahydrofuran; dichloromethane;
DOI:10.1021/jm00091a007