2-Phenyl-4-(phenylamino)-5H-pyrrolo(3,2-d)pyrimidine-7-carbonitrile

Base Information

Chemical Name:2-Phenyl-4-(phenylamino)-5H-pyrrolo(3,2-d)pyrimidine-7-carbonitrile
CAS No.:84905-67-9
Molecular Formula:C₁₉H₁₃N₅
Molecular Weight:311.346
Hs Code.:
DSSTox Substance ID:DTXSID501005202
Wikidata:Q83000508

Synonyms:BRN 5110369;2-Phenyl-4-phenylamino-7-cyanopyrrolo(3,2-d)pyrimidine;2-Phenyl-4-(phenylamino)-5H-pyrrolo(3,2-d)pyrimidine-7-carbonitrile;5H-Pyrrolo(3,2-d)pyrimidine-7-carbonitrile, 2-phenyl-4-(phenylamino)-;84905-67-9;DTXSID501005202;LS-139552;2-Phenyl-4-(phenylimino)-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidine-7-carbonitrile

Suppliers and Price of 2-Phenyl-4-(phenylamino)-5H-pyrrolo(3,2-d)pyrimidine-7-carbonitrile

Supply Marketing:

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

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Chemical Property of 2-Phenyl-4-(phenylamino)-5H-pyrrolo(3,2-d)pyrimidine-7-carbonitrile

Chemical Property:

Vapor Pressure:2.36E-10mmHg at 25°C
Boiling Point:505.8°C at 760 mmHg
Flash Point:259.7°C
Density:1.37g/cm³
XLogP3:3.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:311.11709544
Heavy Atom Count:24
Complexity:460

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)C2=NC3=C(C(=N2)NC4=CC=CC=C4)NC=C3C#N

Technology Process of 2-Phenyl-4-(phenylamino)-5H-pyrrolo(3,2-d)pyrimidine-7-carbonitrile

There total 3 articles about 2-Phenyl-4-(phenylamino)-5H-pyrrolo(3,2-d)pyrimidine-7-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: 69.0%

: 142-04-1,36663-09-9
aniline hydrochloride

: 84905-65-7
2-Phenyl-4-chloro-7-cyanopyrrolo<3.2-d>pyrimidine

: 84905-67-9
2-Phenyl-4-phenylamino-7-cyanopyrrolo<3.2-d>pyrimidine

Guidance literature:: In ethanol; for 6h; Heating;
DOI:10.1007/BF00770315

Reference yield:

: 84905-64-6
4-Chloro-2-phenyl-5H-pyrrolo[3,2-d]pyrimidine-7-carbaldehyde oxime

: 84905-67-9
2-Phenyl-4-phenylamino-7-cyanopyrrolo<3.2-d>pyrimidine

Guidance literature:: Multi-step reaction with 2 steps

1: POCl₃ / Heating

2: 69 percent / aq. ethanol / 6 h / Heating

With trichlorophosphate; In ethanol;
DOI:10.1007/BF00770315

Reference yield:

: 75682-07-4
4-Chloro-2-phenylpyrrolo<3,2-d>-pyrimidine-7-carboxaldehyde

: 84905-67-9
2-Phenyl-4-phenylamino-7-cyanopyrrolo<3.2-d>pyrimidine

Guidance literature:: Multi-step reaction with 3 steps

1: NH₂OH*HCl / aq. ethanol / 4 h / Heating

2: POCl₃ / Heating

3: 69 percent / aq. ethanol / 6 h / Heating

With hydroxylamine hydrochloride; trichlorophosphate; In ethanol;
DOI:10.1007/BF00770315