3-amino-1-(2-chlorophenyl)-1H-benzo[f]chromene-2-carbonitrile

Base Information

• Chemical Name: 3-amino-1-(2-chlorophenyl)-1H-benzo[f]chromene-2-carbonitrile
• CAS No.: 111861-47-3
• Molecular Formula: C20H13ClN2O
• Molecular Weight: 332.789
• DSSTox Substance ID: DTXSID60389489
• Nikkaji Number: J3.450.118A
• Mol file: 111861-47-3.mol

Synonyms:3-amino-1-(2-chlorophenyl)-1H-benzo[f]chromene-2-carbonitrile;111861-47-3;DTXSID60389489;3-Amino-1-(2-chloro-phenyl)-1H-benzo[f]chromene-2-carbonitrile;NSC823748;STK053497;AKOS000487306;AKOS016348700;CCG-109244;NSC-823748;SR-01000465785;SR-01000465785-1;1-(2-Chlorophenyl)-3-amino-1H-naphtho[2,1-b]pyran-2-carbonitrile

Chemical Property of 3-amino-1-(2-chlorophenyl)-1H-benzo[f]chromene-2-carbonitrile

Chemical Property:

• PSA: 59.04000
• LogP: 5.41168
• XLogP3: 5.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 332.0716407
• Heavy Atom Count: 24
• Complexity: 565

Purity/Quality:

3-amino-1-(2-chlorophenyl)-1H-benzo[f]chromene-2-carbonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C=CC3=C2C(C(=C(O3)N)C#N)C4=CC=CC=C4Cl

Technology Process of 3-amino-1-(2-chlorophenyl)-1H-benzo[f]chromene-2-carbonitrile

There total 4 articles about 3-amino-1-(2-chlorophenyl)-1H-benzo[f]chromene-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: 96.0%

2-chloro-benzaldehyde (89-98-5) + β-naphthol (135-19-3) + malononitrile (109-77-3) → 3-amino-1-(2-chlorophenyl)-1H-benzo[f]chromene-2-carbonitrile (111861-47-3)

Guidance literature:

With potassium phtalimide; at 20 ℃; for 0.216667h; Milling;

DOI:10.1039/c4gc00411f

Reference yield: 90.0%

o-chlorobenzylidene malononitrile (2698-41-1) + β-naphthol (135-19-3) → 3-amino-1-(2-chlorophenyl)-1H-benzo[f]chromene-2-carbonitrile (111861-47-3)

Guidance literature:

With piperidine; In ethanol; Heating;

DOI:10.1135/cccc19921570

Reference yield:

ethyl N-(2-cyano-1-(2-chlorophenyl)-1H-benzo[f]chromen-3-yl)formimidate → 3-amino-1-(2-chlorophenyl)-1H-benzo[f]chromene-2-carbonitrile (111861-47-3)

Guidance literature:

With hydrazine hydrate; In ethanol; at 20 ℃;

DOI:10.1080/00397911.2019.1710850

upstream raw materials:

2-chloro-benzaldehyde

β-naphthol

malononitrile

o-chlorobenzylidene malononitrile

Downstream raw materials:

C₂₁H₁₃ClN₂OS₂

3-(5,5-dimethyl-3-oxocyclohex-1-enylamino)-1-(2-chlorophenyl)-1H-benzo[f]chromene-2-carbonitrile

3-(3-oxocyclohex-1-enylamino)-1-(2-chlorophenyl)-1H-benzo[f]chromene-2-carbonitrile

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