2H-(1)Benzoxepino(5,4-c)pyrazole, 4,5-dihydro-3-(4-chlorophenyl)-8,9-dimethyl-

Base Information

Chemical Name:2H-(1)Benzoxepino(5,4-c)pyrazole, 4,5-dihydro-3-(4-chlorophenyl)-8,9-dimethyl-
CAS No.:124392-81-0
Molecular Formula:C₁₉H₁₇ClN₂O
Molecular Weight:324.81
Hs Code.:
DSSTox Substance ID:DTXSID80154313
Wikidata:Q83021482
Mol file:124392-81-0.mol

Synonyms:BRN 4542358;2H-(1)Benzoxepino(5,4-c)pyrazole, 4,5-dihydro-3-(4-chlorophenyl)-8,9-dimethyl-;4,5-Dihydro-3-(4-chlorophenyl)-8,9-dimethyl-2H-(1)benzoxepino(5,4-c)pyrazole;124392-81-0;DTXSID80154313;LS-42552

Suppliers and Price of 2H-(1)Benzoxepino(5,4-c)pyrazole, 4,5-dihydro-3-(4-chlorophenyl)-8,9-dimethyl-

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
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price

Total 1 raw suppliers

Chemical Property of 2H-(1)Benzoxepino(5,4-c)pyrazole, 4,5-dihydro-3-(4-chlorophenyl)-8,9-dimethyl-

Chemical Property:

Vapor Pressure:5.56E-13mmHg at 25°C
Boiling Point:583.2°Cat760mmHg
Flash Point:306.5°C
PSA：37.91000
Density:1.267g/cm³
LogP:4.94880
XLogP3:4.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:324.1029409
Heavy Atom Count:23
Complexity:412

Purity/Quality:: 85.0-99.8% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC2=C(C=C1C)OCCC3=C2NN=C3C4=CC=C(C=C4)Cl

Technology Process of 2H-(1)Benzoxepino(5,4-c)pyrazole, 4,5-dihydro-3-(4-chlorophenyl)-8,9-dimethyl-

There total 5 articles about 2H-(1)Benzoxepino(5,4-c)pyrazole, 4,5-dihydro-3-(4-chlorophenyl)-8,9-dimethyl- 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: 50.0%

: C₁₉H₁₇ClO₃

: 124392-81-0
3-(4-Chloro-phenyl)-8,9-dimethyl-4,5-dihydro-2H-6-oxa-1,2-diaza-benzo[e]azulene

Guidance literature:: With acetic acid; hydrazine; In ethanol; Heating;

Reference yield:

: 95-65-8
3,4-Dimethylphenol

: 124392-81-0
3-(4-Chloro-phenyl)-8,9-dimethyl-4,5-dihydro-2H-6-oxa-1,2-diaza-benzo[e]azulene

Guidance literature:: Multi-step reaction with 5 steps

1: 1) NaOEt / 1) 5 min, 2) reflux

2: 58 percent / PPA / Heating

3: 72 percent / 4percent ethanolic KOH

4: 2 N NaOH, 30percent H₂O₂ / ethanol / Heating

5: 50 percent / gl. acetic acid, NH₂-NH₂ / ethanol / Heating

With potassium hydroxide; sodium hydroxide; dihydrogen peroxide; sodium ethanolate; acetic acid; hydrazine; In ethanol;

Reference yield:

: 32557-51-0
7,8-dimethyl-3,4-dihydro<1>benzoxepin-5(2H)-one

: 124392-81-0
3-(4-Chloro-phenyl)-8,9-dimethyl-4,5-dihydro-2H-6-oxa-1,2-diaza-benzo[e]azulene

Guidance literature:: Multi-step reaction with 3 steps

1: 72 percent / 4percent ethanolic KOH

2: 2 N NaOH, 30percent H₂O₂ / ethanol / Heating

3: 50 percent / gl. acetic acid, NH₂-NH₂ / ethanol / Heating

With potassium hydroxide; sodium hydroxide; dihydrogen peroxide; acetic acid; hydrazine; In ethanol;