1-(2-Aminobenzyl)-1H-pyrrole-2-carbonitrile

Base Information

Chemical Name:1-(2-Aminobenzyl)-1H-pyrrole-2-carbonitrile
CAS No.:23208-04-0
Molecular Formula:C12H11N3
Molecular Weight:197.239
Hs Code.:2933990090
DSSTox Substance ID:DTXSID50363334
Wikidata:Q82146990
Mol file:23208-04-0.mol

Synonyms:1-(2-Aminobenzyl)-1H-pyrrole-2-carbonitrile;23208-04-0;1-[(2-aminophenyl)methyl]pyrrole-2-carbonitrile;Bionet2_001268;SCHEMBL11491021;DTXSID50363334;HMS1367J14;MFCD03848697;AKOS015993435;SB63708;1-(o-aminobenzyl)-2-pyrrolecarbonitrile;7W-0849;1-[(2-aminophenyl)methyl]-1H-pyrrole-2-carbonitrile

Suppliers and Price of 1-(2-Aminobenzyl)-1H-pyrrole-2-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

American Custom Chemicals Corporation
1-(2-AMINOBENZYL)-1H-PYRROLE-2-CARBONITRILE 95.00%
5MG
$ 633.99

American Custom Chemicals Corporation
1-(2-AMINOBENZYL)-1H-PYRROLE-2-CARBONITRILE 95.00%
10MG
$ 631.85

American Custom Chemicals Corporation
1-(2-AMINOBENZYL)-1H-PYRROLE-2-CARBONITRILE 95.00%
1MG
$ 597.89

Total 3 raw suppliers

Chemical Property of 1-(2-Aminobenzyl)-1H-pyrrole-2-carbonitrile

Chemical Property:

PSA：54.74000
LogP:2.57148
XLogP3:1.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:197.095297364
Heavy Atom Count:15
Complexity:255

Purity/Quality:

99% ^*data from raw suppliers

1-(2-AMINOBENZYL)-1H-PYRROLE-2-CARBONITRILE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C(=C1)CN2C=CC=C2C#N)N

Technology Process of 1-(2-Aminobenzyl)-1H-pyrrole-2-carbonitrile

There total 5 articles about 1-(2-Aminobenzyl)-1H-pyrrole-2-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: 95.0%

: 27046-47-5
1-(2-nitrobenzyl)-2-pyrrolecarbonitrile

: 23208-04-0
1-(2-aminobenzyl)-2-pyrrolecarbonitrile

Guidance literature:: With hydrogen; palladium on activated charcoal; In ethanol; under 2280 Torr;
DOI:10.1021/jm00178a020

Reference yield:

: 22162-52-3
1-(2-nitrobenzyl)-2-pyrrolecarboxaldehyde oxime

: 23208-04-0
1-(2-aminobenzyl)-2-pyrrolecarbonitrile

Guidance literature:: Multi-step reaction with 2 steps

1: 80 percent / Ac₂O / 2 h / 140 °C

2: 95 percent / H₂ / 10percent Pd/C / ethanol / 2280 Torr

With hydrogen; acetic anhydride; palladium on activated charcoal; In ethanol;
DOI:10.1021/jm00178a020

Reference yield:

: 4513-94-4
1H-pyrrole-2-carbonitrile

: 23208-04-0
1-(2-aminobenzyl)-2-pyrrolecarbonitrile

Guidance literature:: Multi-step reaction with 2 steps

1: 91 percent / NaH (50percent mineral dispersion) / dimethylformamide / -30 deg C to room temperature within an hour

2: 77 percent / H₂ / 10percent Pd/C / methanol / 3 h / 760 Torr / Ambient temperature

With hydrogen; sodium hydride; palladium on activated charcoal; In methanol; N,N-dimethyl-formamide;
DOI:10.1002/jhet.5570220214