2H-1-Benzopyran-6-carbonitrile, 3,4-dihydro-4-((4-((2-chlorophenyl)methyl)-5-oxo-3,4-diazabicyclo(4.1.0)hept-2-en-2-yl)oxy)-2,2-dimethyl-3-hydroxy-

Base Information

Chemical Name:2H-1-Benzopyran-6-carbonitrile, 3,4-dihydro-4-((4-((2-chlorophenyl)methyl)-5-oxo-3,4-diazabicyclo(4.1.0)hept-2-en-2-yl)oxy)-2,2-dimethyl-3-hydroxy-
CAS No.:154186-97-7
Molecular Formula:C₂₄H₂₂ClN₃O₄
Molecular Weight:451.909
Hs Code.:
DSSTox Substance ID:DTXSID70934949
Mol file:154186-97-7.mol

2H-1-Benzopyran-6-carbonitrile, 3,4-dihydro-4-((4-((2-chlorophenyl)methyl)-5-oxo-3,4-diazabicyclo(4.1.0)hept-2-en-2-yl)oxy)-2,2-dimethyl-3-hydroxy-

Synonyms:154186-97-7;2H-1-Benzopyran-6-carbonitrile, 3,4-dihydro-4-((4-((2-chlorophenyl)methyl)-5-oxo-3,4-diazabicyclo(4.1.0)hept-2-en-2-yl)oxy)-2,2-dimethyl-3-hydroxy-;C24H21ClN3O4;DTXSID70934949;C24-H21-Cl-N3-O4;LS-39014;4-({4-[(2-Chlorophenyl)methyl]-5-oxo-3,4-diazabicyclo[4.1.0]hept-2-en-2-yl}oxy)-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-carbonitrile

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

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Chemical Property of 2H-1-Benzopyran-6-carbonitrile, 3,4-dihydro-4-((4-((2-chlorophenyl)methyl)-5-oxo-3,4-diazabicyclo(4.1.0)hept-2-en-2-yl)oxy)-2,2-dimethyl-3-hydroxy-

Chemical Property:

Vapor Pressure:1.62E-15mmHg at 25°C
Boiling Point:605.6°C at 760 mmHg
Flash Point:320°C
Density:1.46g/cm³
XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:451.1298839
Heavy Atom Count:32
Complexity:838

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1(C(C(C2=C(O1)C=CC(=C2)C#N)OC3=NN(C(=O)C4C3C4)CC5=CC=CC=C5Cl)O)C

Technology Process of 2H-1-Benzopyran-6-carbonitrile, 3,4-dihydro-4-((4-((2-chlorophenyl)methyl)-5-oxo-3,4-diazabicyclo(4.1.0)hept-2-en-2-yl)oxy)-2,2-dimethyl-3-hydroxy-

There total 6 articles about 2H-1-Benzopyran-6-carbonitrile, 3,4-dihydro-4-((4-((2-chlorophenyl)methyl)-5-oxo-3,4-diazabicyclo(4.1.0)hept-2-en-2-yl)oxy)-2,2-dimethyl-3-hydroxy- 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: 30.0%

: 65018-90-8,75611-72-2,114926-02-2,114926-03-3
6-cyano-2,2-dimethylchromene-3,4-epoxide

: 3-(2-chloro-benzyl)-3,4-diaza-bicyclo[4.1.0]heptane-2,5-dione

: 273213-51-7,154186-97-7
(3S,4R,1'R*,6'S*)-4-(3-(2-chlorobenzyl)-2-oxo-3,4-diazabicyclo[4.1.0]hept-4-en-5-yloxy)-3,4-dihydro-2,2-dimethyl-3-hydroxy-2H-1-benzopyran-6-carbonitrile

: 154186-97-7
(3S,4R)-4-[(1S,6R)-4-(2-Chloro-benzyl)-5-oxo-3,4-diaza-bicyclo[4.1.0]hept-2-en-2-yloxy]-3-hydroxy-2,2-dimethyl-chroman-6-carbonitrile

Guidance literature:: With pyridine; In ethanol; for 16h; Heating;
DOI:10.1248/cpb.48.490

Reference yield: 30.0%

: 65018-90-8,75611-72-2,114926-02-2,114926-03-3
6-cyano-2,2-dimethylchromene-3,4-epoxide

: 3-(2-chloro-benzyl)-3,4-diaza-bicyclo[4.1.0]heptane-2,5-dione

: 273213-51-7,154186-97-7
(3S,4R,1'R*,6'S*)-4-(3-(2-chlorobenzyl)-2-oxo-3,4-diazabicyclo[4.1.0]hept-4-en-5-yloxy)-3,4-dihydro-2,2-dimethyl-3-hydroxy-2H-1-benzopyran-6-carbonitrile

: 154186-97-7
(3S,4R)-4-[(1S,6R)-4-(2-Chloro-benzyl)-5-oxo-3,4-diaza-bicyclo[4.1.0]hept-2-en-2-yloxy]-3-hydroxy-2,2-dimethyl-chroman-6-carbonitrile

Guidance literature:: With pyridine; In ethanol; for 16h; Heating;
DOI:10.1248/cpb.48.490

Reference yield:

: 5617-74-3
3-oxabicyclo[3.1.0]hexane-2,4-dione

: 273213-51-7,154186-97-7
(3S,4R,1'R*,6'S*)-4-(3-(2-chlorobenzyl)-2-oxo-3,4-diazabicyclo[4.1.0]hept-4-en-5-yloxy)-3,4-dihydro-2,2-dimethyl-3-hydroxy-2H-1-benzopyran-6-carbonitrile

Guidance literature:: Multi-step reaction with 2 steps

1: 16 percent / acetonitrile / 15 h / Heating

2: 33 percent / pyridine / ethanol / 16 h / Heating

With pyridine; In ethanol; acetonitrile; 1: cyclocondensation / 2: Addition;
DOI:10.1248/cpb.48.490