2-Chloro-5-((6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl)amino)cyclohexa-2,5-diene-1,4-dione

Base Information

Chemical Name:2-Chloro-5-((6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl)amino)cyclohexa-2,5-diene-1,4-dione
CAS No.:870959-62-9
Molecular Formula:C18H16 Cl N3 O5
Molecular Weight:389.795
Hs Code.:
ChEMBL ID:CHEMBL2113166
DSSTox Substance ID:DTXSID00469658
Pharos Ligand ID:4CFHNLZXTSW1
Wikidata:Q82297479
Mol file:870959-62-9.mol

Synonyms:870959-62-9;CHEMBL2113166;2-Chloro-5-((6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl)amino)cyclohexa-2,5-diene-1,4-dione;2-chloro-5-[[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]amino]cyclohexa-2,5-diene-1,4-dione;2-CHLORO-5-{[6-METHOXY-7-(2-METHOXYETHOXY)QUINAZOLIN-4-YL]AMINO}CYCLOHEXA-2,5-DIENE-1,4-DIONE;6-Methyl-heptanoate;2,5-Cyclohexadiene-1,4-dione,2-chloro-5-[[6-methoxy-7-(2-methoxyethoxy)-4-quinazolinyl]amino]-;SCHEMBL5650440;DTXSID00469658;JJWDGFHYXVCNTQ-UHFFFAOYSA-N;BDBM50002449;PD140312;2-chloro-5-{[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]amino}benzo-1,4-quinone

Suppliers and Price of 2-Chloro-5-((6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl)amino)cyclohexa-2,5-diene-1,4-dione

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
Packaging
price

American Custom Chemicals Corporation
2-CHLORO-5-(6-METHOXY-7-(2-METHOXYETHOXY)QUINAZOLIN-4-YLAMINO)CYCLOHEXA-2,5-DIENE-1,4-DIONE 95.00%
5MG
$ 498.39

Total 3 raw suppliers

Chemical Property of 2-Chloro-5-((6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl)amino)cyclohexa-2,5-diene-1,4-dione

Chemical Property:

PSA：99.64000
LogP:2.30690
XLogP3:2.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:7
Exact Mass:389.0778483
Heavy Atom Count:27
Complexity:639

Purity/Quality:

99% ^*data from raw suppliers

2-CHLORO-5-(6-METHOXY-7-(2-METHOXYETHOXY)QUINAZOLIN-4-YLAMINO)CYCLOHEXA-2,5-DIENE-1,4-DIONE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COCCOC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=O)C(=CC3=O)Cl)OC

Technology Process of 2-Chloro-5-((6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl)amino)cyclohexa-2,5-diene-1,4-dione

There total 7 articles about 2-Chloro-5-((6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl)amino)cyclohexa-2,5-diene-1,4-dione 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: 69.0%

: 872331-52-7
N-(4-chloro-2,5-dimethoxyphenyl)-6-methoxy-7-(2-methoxyethoxy)quinazolin-4-amine

: 870959-62-9
2-chloro-5-{[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]amino}benzo-1,4-quinone

Guidance literature:: With ammonium cerium(IV) nitrate; In chloroform; acetonitrile; for 1h; Heating;
DOI:10.1021/jm050559f

Reference yield:

: 247569-96-6
3-methoxy-4-(2-methoxyethoxy)benzonitrile

: 870959-62-9
2-chloro-5-{[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]amino}benzo-1,4-quinone

Guidance literature:: Multi-step reaction with 5 steps

1: NH₄NO₃; trifluoroacetic anhydride / CHCl₃ / 2 h / Heating

2: cyclohexene / Pd/C / ethanol / Heating

3: 7 h / Heating

4: 99 percent / AcOH / 1 h / 110 °C

5: 69 percent / aq. Ce(NH₄)2(NO₃)6 / CHCl₃; acetonitrile / 1 h / Heating

With ammonium nitrate; ammonium cerium(IV) nitrate; acetic acid; trifluoroacetic anhydride; cyclohexene; palladium on activated charcoal; In ethanol; chloroform; acetonitrile;
DOI:10.1021/jm050559f

Reference yield:

: 870959-50-5
5-methoxy-4-(2-methoxyethoxy)-2-nitrobenzonitrile

: 870959-62-9
2-chloro-5-{[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]amino}benzo-1,4-quinone

Guidance literature:: Multi-step reaction with 4 steps

1: cyclohexene / Pd/C / ethanol / Heating

2: 7 h / Heating

3: 99 percent / AcOH / 1 h / 110 °C

4: 69 percent / aq. Ce(NH₄)2(NO₃)6 / CHCl₃; acetonitrile / 1 h / Heating

With ammonium cerium(IV) nitrate; acetic acid; cyclohexene; palladium on activated charcoal; In ethanol; chloroform; acetonitrile;
DOI:10.1021/jm050559f