5-Chloro-2-(1-pyrrolidinyl)-benzonitrile

Base Information

Chemical Name:5-Chloro-2-(1-pyrrolidinyl)-benzonitrile
CAS No.:219921-69-4
Molecular Formula:C₁₁H₁₁ClN₂
Molecular Weight:206.675
Hs Code.:
DSSTox Substance ID:DTXSID201277866

Synonyms:219921-69-4;5-Chloro-2-(1-pyrrolidinyl)-benzonitrile;SCHEMBL1197731;DTXSID201277866;AKOS011784417;5-Chloro-2-(1-pyrrolidinyl)benzonitrile

Suppliers and Price of 5-Chloro-2-(1-pyrrolidinyl)-benzonitrile

Supply Marketing:

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

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Chemical Property of 5-Chloro-2-(1-pyrrolidinyl)-benzonitrile

Chemical Property:

XLogP3:2.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:206.0610761
Heavy Atom Count:14
Complexity:239

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1CCN(C1)C2=C(C=C(C=C2)Cl)C#N

Technology Process of 5-Chloro-2-(1-pyrrolidinyl)-benzonitrile

There total 3 articles about 5-Chloro-2-(1-pyrrolidinyl)-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:

: 16588-02-6
4-chloro-3-cyanonitrobenzene

: 219921-69-4
5-chloro-2-pyrrolidino-benzonitrile

Guidance literature:: Multi-step reaction with 3 steps

1: 97 percent / ethanol / 2 h / Heating

2: 86 percent / Fe, aq. NH₄Cl / 2 h / Heating

3: 1.) aq. NaNO₂, HCl, 2.) Cu₂Cl₂, HCl / 1.) 0 deg C, 2.) 40 deg C, 2 h

With copper(I) chloride; hydrogenchloride; iron; ammonium chloride; sodium nitrite; In ethanol;
DOI:10.1021/jm9810349

Reference yield:

: 219921-68-3
5-amino-2-pyrrolidino-benzonitrile

: 219921-69-4
5-chloro-2-pyrrolidino-benzonitrile

Guidance literature:: With copper(I) chloride; hydrogenchloride; sodium nitrite; Yield given; Multistep reaction; 1.) 0 deg C, 2.) 40 deg C, 2 h;
DOI:10.1021/jm9810349

Reference yield:

: 17615-42-8
1-pyrrolidino-4-nitro-2-cyanobenzene

: 219921-69-4
5-chloro-2-pyrrolidino-benzonitrile

Guidance literature:: Multi-step reaction with 2 steps

1: 86 percent / Fe, aq. NH₄Cl / 2 h / Heating

2: 1.) aq. NaNO₂, HCl, 2.) Cu₂Cl₂, HCl / 1.) 0 deg C, 2.) 40 deg C, 2 h

With copper(I) chloride; hydrogenchloride; iron; ammonium chloride; sodium nitrite;
DOI:10.1021/jm9810349