14-Chloro-8-methyl-4,6-diphenyl-4,6,8,18-tetrazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2(7),11,13,15,17-hexaene-3,5,9-trione

Base Information

Chemical Name:14-Chloro-8-methyl-4,6-diphenyl-4,6,8,18-tetrazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2(7),11,13,15,17-hexaene-3,5,9-trione
CAS No.:177082-81-4
Molecular Formula:C₂₇H₁₇ClN₄O₃
Molecular Weight:480.91
Hs Code.:
DSSTox Substance ID:DTXSID20382956
Wikidata:Q82174455
ChEMBL ID:CHEMBL4576266

Synonyms:177082-81-4;14-Chloro-8-methyl-4,6-diphenyl-4,6,8,18-tetrazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2(7),11,13,15,17-hexaene-3,5,9-trione;ZINC01036803;Oprea1_208307;CHEMBL4576266;DTXSID20382956;CCG-42673;SR-01000632651-1

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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 14-Chloro-8-methyl-4,6-diphenyl-4,6,8,18-tetrazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2(7),11,13,15,17-hexaene-3,5,9-trione

Chemical Property:

Vapor Pressure:3.77E-19mmHg at 25°C
XLogP3:4.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:480.0989181
Heavy Atom Count:35
Complexity:925

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Useful:

Canonical SMILES:CN1C2=C(C3=C(C1=O)C=C4C=C(C=CC4=N3)Cl)C(=O)N(C(=O)N2C5=CC=CC=C5)C6=CC=CC=C6

Technology Process of 14-Chloro-8-methyl-4,6-diphenyl-4,6,8,18-tetrazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2(7),11,13,15,17-hexaene-3,5,9-trione

There total 3 articles about 14-Chloro-8-methyl-4,6-diphenyl-4,6,8,18-tetrazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2(7),11,13,15,17-hexaene-3,5,9-trione 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:

: 66400-26-8
6-methylamino-1,3-diphenyl-1H-pyrimidine-2,4-dione

: 177082-81-4
9-Chloro-5-methyl-2,4-diphenyl-4H,5H-2,4,5,12-tetraaza-benzo[a]anthracene-1,3,6-trione

Guidance literature:: Multi-step reaction with 3 steps

1: 94 percent / diphenyl ether / 2 h / 220 - 250 °C

2: 75 percent / POCl₃ / 50 - 60 °C

3: 2) 2 N aq. NaOH / 1) DMF, 60 deg C to 70 deg C, 2 h, 2) r.t., 5 h

With sodium hydroxide; trichlorophosphate; In diphenylether;
DOI:10.1002/prac.19963380129

Reference yield:

: 177082-44-9
5-hydroxy-8-methyl-1,3-diphenyl-pyrido<2,3-d>pyrimidine-2,4,7-trione

: 177082-81-4
9-Chloro-5-methyl-2,4-diphenyl-4H,5H-2,4,5,12-tetraaza-benzo[a]anthracene-1,3,6-trione

Guidance literature:: Multi-step reaction with 2 steps

1: 75 percent / POCl₃ / 50 - 60 °C

2: 2) 2 N aq. NaOH / 1) DMF, 60 deg C to 70 deg C, 2 h, 2) r.t., 5 h

With sodium hydroxide; trichlorophosphate;
DOI:10.1002/prac.19963380129

Reference yield:

: 106-47-8
4-chloro-aniline

: 177082-56-3
5-chloro-6-formyl-8-methyl-1,3-diphenyl-pyrido<2,3-d>pyrimidine-2,4,7(1H,3H,8H)-trione

: 177082-81-4
9-Chloro-5-methyl-2,4-diphenyl-4H,5H-2,4,5,12-tetraaza-benzo[a]anthracene-1,3,6-trione

Guidance literature:: With sodium hydroxide; Yield given. Multistep reaction; 1) DMF, 60 deg C to 70 deg C, 2 h, 2) r.t., 5 h;
DOI:10.1002/prac.19963380129