2-[2-Chloro-5-(hexylamino)phenyl]-6-methyl-4H-1-benzopyran-4-one

Base Information

Chemical Name:2-[2-Chloro-5-(hexylamino)phenyl]-6-methyl-4H-1-benzopyran-4-one
CAS No.:920286-87-9
Molecular Formula:C22H24ClNO2
Molecular Weight:369.891
Hs Code.:
DSSTox Substance ID:DTXSID90575590
Wikidata:Q82464987

Synonyms:920286-87-9;2-(2-Chloro-5-(hexylamino)phenyl)-6-methyl-4H-chromen-4-one;2-[2-chloro-5-(hexylamino)phenyl]-6-methyl-4H-chromen-4-one;DTXSID90575590;2-[2-Chloro-5-(hexylamino)phenyl]-6-methyl-4H-1-benzopyran-4-one

Suppliers and Price of 2-[2-Chloro-5-(hexylamino)phenyl]-6-methyl-4H-1-benzopyran-4-one

Supply Marketing:

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

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Chemical Property of 2-[2-Chloro-5-(hexylamino)phenyl]-6-methyl-4H-1-benzopyran-4-one

Chemical Property:

XLogP3:6.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:7
Exact Mass:369.1495567
Heavy Atom Count:26
Complexity:506

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCCCNC1=CC(=C(C=C1)Cl)C2=CC(=O)C3=C(O2)C=CC(=C3)C

Technology Process of 2-[2-Chloro-5-(hexylamino)phenyl]-6-methyl-4H-1-benzopyran-4-one

There total 3 articles about 2-[2-Chloro-5-(hexylamino)phenyl]-6-methyl-4H-1-benzopyran-4-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: 57.0%

: 111-26-2
hexan-1-amine

: 127767-42-4
2-(5-bromo-2-chloro-phenyl)-6-methyl-chromen-4-one

: 920286-87-9
2-(2-chloro-5-hexylaminophenyl)-6-methyl-chromen-4-one

: C₃₈H₃₃Cl₂NO₄

Guidance literature:: With sodium t-butanolate; tris(dibenzylideneacetone)dipalladium ⁽⁰⁾; 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; In toluene; at 80 ℃; for 1h; microwave irradiation;
DOI:10.1039/b610734f

Reference yield:

: 1450-72-2
5-methyl-2-hydroxyacetophenone

: 920286-87-9
2-(2-chloro-5-hexylaminophenyl)-6-methyl-chromen-4-one

Guidance literature:: Multi-step reaction with 2 steps

1.1: LHMDS / tetrahydrofuran / 2.5 h / -78 - -20 °C

1.2: tetrahydrofuran / 3 h / -78 - 20 °C

1.3: 61 percent / AcOH; H₂SO₄ / tetrahydrofuran / 0.08 h / 120 °C

2.1: 57 percent / NaOtBu / Pd₂(dba)3; BINAP / toluene / 1 h / 80 °C / microwave irradiation

With lithium hexamethyldisilazane; sodium t-butanolate; tris(dibenzylideneacetone)dipalladium ⁽⁰⁾; 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; In tetrahydrofuran; toluene; 2.1: Buchwald-Hartwig amination reaction;
DOI:10.1039/b610734f

Reference yield:

: 21900-52-7
5-bromo-2-chloro-benzoyl chloride

: 920286-87-9
2-(2-chloro-5-hexylaminophenyl)-6-methyl-chromen-4-one

Guidance literature:: Multi-step reaction with 2 steps

1.1: LHMDS / tetrahydrofuran / 2.5 h / -78 - -20 °C

1.2: tetrahydrofuran / 3 h / -78 - 20 °C

1.3: 61 percent / AcOH; H₂SO₄ / tetrahydrofuran / 0.08 h / 120 °C

2.1: 57 percent / NaOtBu / Pd₂(dba)3; BINAP / toluene / 1 h / 80 °C / microwave irradiation

With lithium hexamethyldisilazane; sodium t-butanolate; tris(dibenzylideneacetone)dipalladium ⁽⁰⁾; 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; In tetrahydrofuran; toluene; 2.1: Buchwald-Hartwig amination reaction;
DOI:10.1039/b610734f