5-Amino-2-(pyrrolidin-1-yl)benzonitrile

Base Information

Chemical Name:5-Amino-2-(pyrrolidin-1-yl)benzonitrile
CAS No.:219921-68-3
Molecular Formula:C11H13N3
Molecular Weight:187.24
Hs Code.:2933990090
DSSTox Substance ID:DTXSID90444318
Wikidata:Q82262433
Mol file:219921-68-3.mol

Synonyms:5-Amino-2-(pyrrolidin-1-yl)benzonitrile;219921-68-3;5-AMINO-2-(1-PYRROLIDINYL)BENZONITRILE;5-amino-2-pyrrolidin-1-ylbenzonitrile;Benzonitrile, 5-amino-2-(1-pyrrolidinyl)-;SCHEMBL3156791;5-amino-2-pyrrolidinobenzonitrile;DTXSID90444318;FVSSHGNFKHGMDK-UHFFFAOYSA-N;MFCD09864592;AKOS010536180;DS-2252;CS-0018996;EN300-7406359

Suppliers and Price of 5-Amino-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

SynQuest Laboratories
5-Amino-2-(pyrrolidin-1-yl)benzonitrile 95%
5 g
$ 1048.00

SynQuest Laboratories
5-Amino-2-(pyrrolidin-1-yl)benzonitrile 95%
1 g
$ 376.00

Matrix Scientific
5-Amino-2-(pyrrolidin-1-yl)benzonitrile >95%
1g
$ 465.00

Crysdot
5-Amino-2-(pyrrolidin-1-yl)benzonitrile 98%
10g
$ 492.00

Crysdot
5-Amino-2-(pyrrolidin-1-yl)benzonitrile 98%
5g
$ 352.00

Chemenu
5-Amino-2-(pyrrolidin-1-yl)benzonitrile 95+%
5g
$ 332.00

Chemenu
5-Amino-2-(pyrrolidin-1-yl)benzonitrile 95+%
10g
$ 465.00

Chemenu
5-Amino-2-(pyrrolidin-1-yl)benzonitrile 95+%
1g
$ 130.00

ChemBridge Corporation
5-amino-2-(1-pyrrolidinyl)benzonitrile 95%
1 g
$ 70.00

Biosynth Carbosynth
5-Amino-2-(pyrrolidin-1-yl)benzonitrile
5 g
$ 890.00

Total 19 raw suppliers

Chemical Property of 5-Amino-2-(pyrrolidin-1-yl)benzonitrile

Chemical Property:

Vapor Pressure:0mmHg at 25°C
Boiling Point:422.573°C at 760 mmHg
Flash Point:209.365°C
PSA：53.05000
Density:1.194g/cm³
LogP:2.38688
Storage Temp.:under inert gas (nitrogen or Argon) at 2–8 °C
XLogP3:1.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:187.110947427
Heavy Atom Count:14
Complexity:236

Purity/Quality:

97% ^*data from raw suppliers

5-Amino-2-(pyrrolidin-1-yl)benzonitrile 95% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CCN(C1)C2=C(C=C(C=C2)N)C#N
Uses 5-Amino-2-(pyrrolidin-1-yl)benzonitrile is a useful reagent in the preparation of antidiabetic repaglinide and other related benzoic acid derivatives.

Technology Process of 5-Amino-2-(pyrrolidin-1-yl)benzonitrile

There total 2 articles about 5-Amino-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: 86.0%

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

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

Guidance literature:: With iron; ammonium chloride; for 2h; Heating;
DOI:10.1021/jm9810349

Reference yield:

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

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

Guidance literature:: Multi-step reaction with 2 steps

1: 97 percent / ethanol / 2 h / Heating

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

With iron; ammonium chloride; In ethanol;
DOI:10.1021/jm9810349

Reference yield:

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

: 5-chloro-2-pyrrolidino-benzylamine

Guidance literature:: Multi-step reaction with 3 steps

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

2: diethyl ether / 94 h / Heating

3: LiAlH₄ / diethyl ether / 4 h / Heating

With copper(I) chloride; hydrogenchloride; lithium aluminium tetrahydride; sodium nitrite; In diethyl ether;
DOI:10.1021/jm9810349