2-(Pyrrolidin-1-yl)benzonitrile

Base Information

Chemical Name:2-(Pyrrolidin-1-yl)benzonitrile
CAS No.:20925-25-1
Molecular Formula:C11H12 N2
Molecular Weight:172.23
Hs Code.:2933990090
DSSTox Substance ID:DTXSID50501072
Wikidata:Q82353187
Mol file:20925-25-1.mol

Synonyms:20925-25-1;2-(pyrrolidin-1-yl)benzonitrile;2-Pyrrolidinobenzonitrile;2-Pyrrolidin-1-ylbenzonitrile;2-(1-Pyrrolidinyl)benzonitrile;2-(1-pyrrolidyl)benzonitrile;Benzonitrile, 2-(1-pyrrolidinyl)-;pyrrolidinyl-benzonitrile;SCHEMBL829177;DTXSID50501072;YUKHVYSSBBOQJW-UHFFFAOYSA-N;Benzonitrile,2-(1-pyrrolidinyl)-;MFCD08435870;AKOS000261487;BS-22046;CS-0204929;EN300-73260;Z126933544

Suppliers and Price of 2-(Pyrrolidin-1-yl)benzonitrile

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

TRC
2-Pyrrolidin-1-ylbenzonitrile
250mg
$ 45.00

Crysdot
2-(Pyrrolidin-1-yl)benzonitrile 95+%
25g
$ 706.00

Crysdot
2-(Pyrrolidin-1-yl)benzonitrile 95+%
10g
$ 337.00

American Custom Chemicals Corporation
2-PYRROLIDIN-1-YLBENZONITRILE 95.00%
1G
$ 776.16

AK Scientific
2-Pyrrolidinobenzonitrile
25g
$ 1051.00

AK Scientific
2-Pyrrolidinobenzonitrile
5g
$ 301.00

AK Scientific
2-Pyrrolidinobenzonitrile
1g
$ 124.00

Total 10 raw suppliers

Chemical Property of 2-(Pyrrolidin-1-yl)benzonitrile

Chemical Property:

Vapor Pressure:0.000297mmHg at 25°C
Boiling Point:321.5oC at 760 mmHg
PKA:5.68±0.20(Predicted)
Flash Point:141.9oC
PSA：27.03000
Density:1.12g/cm3
LogP:2.22348
XLogP3:2.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:172.100048391
Heavy Atom Count:13
Complexity:209

Purity/Quality:

97% ^*data from raw suppliers

2-Pyrrolidin-1-ylbenzonitrile ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xi
Hazard Codes:Xi

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CCN(C1)C2=CC=CC=C2C#N

Technology Process of 2-(Pyrrolidin-1-yl)benzonitrile

There total 5 articles about 2-(Pyrrolidin-1-yl)benzonitrile 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: 90.0%

: 123-75-1
pyrrolidine

: 2042-37-7
o-cyanobromobenzene

: 20925-25-1
2-(pyrrolidin-1-yl)benzonitrile

Guidance literature:: With 1,3-bis[(diphenylphosphino)propane]dichloronickel(II); N,N,N′,N′-tetramethyl-N″-tert-butylguanidine; 4-phenyl-N-methylpyridinium iodide; 4,4'-di-tert-butyl-2,2'-bipyridine; zinc; In dimethyl sulfoxide; at 80 ℃; for 8h; Reagent/catalyst; Inert atmosphere;
DOI:10.1002/chem.202002800

Reference yield: 76.0%

: 109-74-0
propyl cyanide

: 2-(pyrrolidin-1-yl)phenyl trifluoromethanesulfonate

: 20925-25-1
2-(pyrrolidin-1-yl)benzonitrile

Guidance literature:: With aluminum (III) chloride; bis(1,5-cyclooctadiene)nickel ⁽⁰⁾; triethylamine; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; In toluene; at 50 ℃; Inert atmosphere; Sealed tube; Glovebox;
DOI:10.1002/anie.201707517