(4E)-2-(3,4-dichlorophenyl)-4-[(2-methoxyphenyl)methylidene]-5-methylpyrazol-3-one

Base Information

Chemical Name:(4E)-2-(3,4-dichlorophenyl)-4-[(2-methoxyphenyl)methylidene]-5-methylpyrazol-3-one
CAS No.:5581-85-1
Molecular Formula:C₁₁H₁₂N₂O
Molecular Weight:188.229
Hs Code.:
DSSTox Substance ID:DTXSID50416531

Synonyms:5581-85-1;(4E)-2-(3,4-dichlorophenyl)-4-[(2-methoxyphenyl)methylidene]-5-methylpyrazol-3-one;2-(3,4-dichlorophenyl)-4-(2-methoxybenzylidene)-5-methyl-2,4-dihydro-3H-pyrazol-3-one;AC1NSJZP;DTXSID50416531;MVPCIULKZVILGF-NTEUORMPSA-N;STK963676;AKOS003194201;AK-968/33482038;(4E)-2-(3,4-dichlorophenyl)-4-(2-methoxybenzylidene)-5-methyl-2,4-dihydro-3H-pyrazol-3-one

Suppliers and Price of (4E)-2-(3,4-dichlorophenyl)-4-[(2-methoxyphenyl)methylidene]-5-methylpyrazol-3-one

Supply Marketing:

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

Manufacturers and distributors:

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Chemical Property of (4E)-2-(3,4-dichlorophenyl)-4-[(2-methoxyphenyl)methylidene]-5-methylpyrazol-3-one

Chemical Property:

Vapor Pressure:1.12E-10mmHg at 25°C
Boiling Point:514°Cat760mmHg
Flash Point:264.7°C
Density:1.32g/cm³
XLogP3:4.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:360.0432331
Heavy Atom Count:24
Complexity:549

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=NN(C(=O)C1=CC2=CC=CC=C2OC)C3=CC(=C(C=C3)Cl)Cl
Isomeric SMILES:CC\1=NN(C(=O)/C1=C/C2=CC=CC=C2OC)C3=CC(=C(C=C3)Cl)Cl

Technology Process of (4E)-2-(3,4-dichlorophenyl)-4-[(2-methoxyphenyl)methylidene]-5-methylpyrazol-3-one

There total 5 articles about (4E)-2-(3,4-dichlorophenyl)-4-[(2-methoxyphenyl)methylidene]-5-methylpyrazol-3-one 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: 60.0%

: 5581-84-0,5591-06-0,16750-41-7
3-amino-3-phenylpropanenitrile

: 108-24-7
acetic anhydride

: 91350-02-6,5581-85-1,5591-05-9
N-(2-cyano-1-phenylethyl)acetamide

Guidance literature:: With pyridine; dmap; In dichloromethane; at 20 ℃;
DOI:10.1016/j.molcatb.2011.12.005

Reference yield:

: 4360-47-8
cinnamonitrile

: 91350-02-6,5581-85-1,5591-05-9
N-(2-cyano-1-phenylethyl)acetamide

Guidance literature:: Multi-step reaction with 2 steps

1: bis(pinacol)diborane; bis[2-(diphenylphosphino)phenyl] ether; copper(l) chloride; sodium t-butanolate / tetrahydrofuran; methanol / Inert atmosphere

2: boron trifluoride diethyl etherate; copper diacetate / diethyl ether; toluene / 15 h / 20 °C

With boron trifluoride diethyl etherate; copper diacetate; bis(pinacol)diborane; bis[2-(diphenylphosphino)phenyl] ether; copper(l) chloride; sodium t-butanolate; In tetrahydrofuran; methanol; diethyl ether; toluene;
DOI:10.1016/j.tet.2011.09.055

Reference yield:

: 1823-99-0,17196-74-6,60375-56-6
3-amino-3-phenylacrylonitrile

: 91350-02-6,5581-85-1,5591-05-9
N-(2-cyano-1-phenylethyl)acetamide

Guidance literature:: Multi-step reaction with 2 steps

1.1: hydrogenchloride; sodium cyanoborohydride / ethanol; water / 3 h / 20 °C

1.2: pH 11

2.1: pyridine; dmap / dichloromethane / 20 °C

With pyridine; hydrogenchloride; dmap; sodium cyanoborohydride; In ethanol; dichloromethane; water;
DOI:10.1016/j.molcatb.2011.12.005