2-Amino-4-(3-methoxyphenyl)-1H-pyrrole-3-carbonitrile

Base Information

Chemical Name:2-Amino-4-(3-methoxyphenyl)-1H-pyrrole-3-carbonitrile
CAS No.:194787-90-1
Molecular Formula:C12H11 N3 O
Molecular Weight:213.24
Hs Code.:
DSSTox Substance ID:DTXSID30596325
Wikidata:Q82491553
Mol file:194787-90-1.mol

Synonyms:194787-90-1;2-AMINO-4-(3-METHOXYPHENYL)-1H-PYRROLE-3-CARBONITRILE;QLLUSUOELFPSGI-UHFFFAOYSA-N;2-amino4-(3-methoxy-phenyl)-1H-pyrrole-3-carbonitrile;SCHEMBL7018556;DTXSID30596325;A813751

Suppliers and Price of 2-Amino-4-(3-methoxyphenyl)-1H-pyrrole-3-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 2 raw suppliers

Chemical Property of 2-Amino-4-(3-methoxyphenyl)-1H-pyrrole-3-carbonitrile

Chemical Property:

PSA：74.83000
LogP:2.72538
XLogP3:2.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:213.090211983
Heavy Atom Count:16
Complexity:285

Purity/Quality:: 97% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC1=CC=CC(=C1)C2=CNC(=C2C#N)N

Technology Process of 2-Amino-4-(3-methoxyphenyl)-1H-pyrrole-3-carbonitrile

There total 4 articles about 2-Amino-4-(3-methoxyphenyl)-1H-pyrrole-3-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:

: 5000-65-7
2-bromo-3'-methoxyacetophenone

: 194787-90-1
2-amino4-(3-methoxy-phenyl)-1H-pyrrole-3-carbonitrile

Guidance literature:: Multi-step reaction with 4 steps

1: NaN₃; CH₃N[(CH₂)7CH₃]3Cl / toluene / 55 °C

2: H₂; HCl / Pt/C / methanol

3: Et₃N / tetrahydrofuran / 20 °C

4: NaOEt / ethanol / 55 °C

With hydrogenchloride; sodium azide; hydrogen; sodium ethanolate; Aliquat 336; triethylamine; platinum on activated charcoal; In tetrahydrofuran; methanol; ethanol; toluene;
DOI:10.1016/S0960-894X(01)00079-8

Reference yield:

: 194787-89-8
2-azido-1-(3-methoxyphenyl)ethan-1-one

: 194787-90-1
2-amino4-(3-methoxy-phenyl)-1H-pyrrole-3-carbonitrile

Guidance literature:: Multi-step reaction with 3 steps

1: H₂; HCl / Pt/C / methanol

2: Et₃N / tetrahydrofuran / 20 °C

3: NaOEt / ethanol / 55 °C

With hydrogenchloride; hydrogen; sodium ethanolate; triethylamine; platinum on activated charcoal; In tetrahydrofuran; methanol; ethanol;
DOI:10.1016/S0960-894X(01)00079-8

Reference yield:

: 189506-47-6
2-amino-1-(3-methoxyphenyl)ethan-1-one

: 194787-90-1
2-amino4-(3-methoxy-phenyl)-1H-pyrrole-3-carbonitrile

Guidance literature:: Multi-step reaction with 2 steps

1: Et₃N / tetrahydrofuran / 20 °C

2: NaOEt / ethanol / 55 °C

With sodium ethanolate; triethylamine; In tetrahydrofuran; ethanol;
DOI:10.1016/S0960-894X(01)00079-8