6-Amino-4-(4-chlorophenyl)-3-methyl-1-phenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

Base Information

• Chemical Name: 6-Amino-4-(4-chlorophenyl)-3-methyl-1-phenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
• CAS No.: 76973-35-8
• Molecular Formula: C20H15 Cl N4 O
• Molecular Weight: 362.818
• Hs Code.: 2934999090
• NSC Number: 299139
• DSSTox Substance ID: DTXSID50316062
• Nikkaji Number: J1.821.175K
• Mol file: 76973-35-8.mol

Synonyms:76973-35-8;6-amino-4-(4-chlorophenyl)-3-methyl-1-phenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile;6-Amino-4-(4-chloro-phenyl)-3-methyl-1-phenyl-1,4-dihydro-pyrano[2,3-c]pyrazole-5-carbonitrile;6-amino-4-(4-chlorophenyl)-3-methyl-1-phenyl-4H-pyrano[2,3-c]pyrazole-5-carbonitrile;Pyrano[2,3-c]pyrazole-5-carbonitrile,6-amino-4-(4-chlorophenyl)-1,4-dihydro-3-methyl-1-phenyl-;NSC299139;DTXSID50316062;STL352966;AKOS000658758;AKOS016874422;CCG-244366;NSC 299139;NSC-299139;6-amino-4-(4-chlorophenyl)-3-methyl-1-phenyl-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile;UPCMLD0ENAT0506-3648:001;CS-0282667;EN300-02216;Z56175414;1-Phenyl-3-methyl-4-(4-chlorophenyl)-6-amino-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile;6-amino-3-methyl-4-(4-chlorophenyl)-1-phenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

Chemical Property of 6-Amino-4-(4-chlorophenyl)-3-methyl-1-phenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

Chemical Property:

• Vapor Pressure: 2.93E-13mmHg at 25°C
• Boiling Point: 575.8°C at 760 mmHg
• Flash Point: 302°C
• PSA: 76.86000
• Density: 1.37g/cm³
• LogP: 4.75258
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 362.0934388
• Heavy Atom Count: 26
• Complexity: 600

Purity/Quality:

99% ^*data from raw suppliers

6-AMINO-4-(4-CHLORO-PHENYL)-3-METHYL-1-PHENYL-1,4-DIHYDRO-PYRANO[2,3-C]PYRAZOLE-5-CARBONITRILE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NN(C2=C1C(C(=C(O2)N)C#N)C3=CC=C(C=C3)Cl)C4=CC=CC=C4

Technology Process of 6-Amino-4-(4-chlorophenyl)-3-methyl-1-phenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

There total 11 articles about 6-Amino-4-(4-chlorophenyl)-3-methyl-1-phenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-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: 99.0%

4-chlorobenzaldehyde (104-88-1) + edaravone (89-25-8) + malononitrile (109-77-3) → 6-amino-4-(4-chlorophenyl)-5-cyano-3-methyl-1-phenyl-1,4-dihydropyrano[2,3-c]pyrazole (76973-35-8)

Guidance literature:

With N-benzyl-N,N,N-triethylammonium chloride; In water; at 90 ℃; for 6h;

DOI:10.1081/SCC-200043224

Reference yield: 98.0%

ethyl acetoacetate (141-97-9) + 4-chlorobenzaldehyde (104-88-1) + phenylhydrazine (100-63-0) + malononitrile (109-77-3) → 6-amino-4-(4-chlorophenyl)-5-cyano-3-methyl-1-phenyl-1,4-dihydropyrano[2,3-c]pyrazole (76973-35-8)

Guidance literature:

With super-paramagnetic Fe₃O₄ nanoparticles-supported dopamine-bridged L-proline; In water; at 20 ℃; for 0.0333333h; Sonication; Green chemistry;

DOI:10.1007/s10562-015-1586-4

Reference yield: 96.0%

4-chlorobenzylidenemalonodinitrile (1867-38-5) + edaravone (89-25-8) → 6-amino-4-(4-chlorophenyl)-5-cyano-3-methyl-1-phenyl-1,4-dihydropyrano[2,3-c]pyrazole (76973-35-8)

Guidance literature:

With magnesium oxide; In acetonitrile; for 0.333333h; Reflux;

DOI:10.1080/00397910902964866

upstream raw materials:

4-chlorobenzaldehyde

edaravone

malononitrile

2-[(4-Chloro-phenyl)-(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)-methyl]-malononitrile

Downstream raw materials:

N-[4-(4-Chloro-phenyl)-5-cyano-3-methyl-1-phenyl-1,4-dihydro-pyrano[2,3-c]pyrazol-6-yl]-formimidic acid ethyl ester

4-(4-Chloro-phenyl)-5-imino-3-methyl-1-phenyl-1,4-dihydro-5H-9-oxa-1,2,6,8-tetraaza-cyclopenta[b]naphthalen-6-ylamine

4-(4-chlorophenyl)-3,7-dimethyl-1-phenyl-4,6-dihydropyrazolo[4',3':5,6]pyrano[2,3-d]pyrimidine-5(1H)-one

5-amino-4-(4-chlorophenyl)-3-methyl-1-phenyl-4,8-dihydro-2(H)-pyrazolo[4',3':5,6]pyrano[2,3-d]pyrimidine-7(1H)-thione