2,12-Dichloro-7-phenyl-5,6,8,9-tetrahydro-1,13-diaza-dibenzo[a,j]anthracene-14-carboxylic acid methyl ester

Base Information

• Chemical Name: 2,12-Dichloro-7-phenyl-5,6,8,9-tetrahydro-1,13-diaza-dibenzo[a,j]anthracene-14-carboxylic acid methyl ester
• CAS No.: 129337-87-7
• Molecular Formula: C₂₈H₂₀Cl₂N₂O₂
• Molecular Weight: 487.385
• NSC Number: 645588
• DSSTox Substance ID: DTXSID801109895
• ChEMBL ID: CHEMBL1991307
• Mol file: 129337-87-7.mol

Synonyms:NSC645588;2,12-Dichloro-7-phenyl-5,6,8,9-tetrahydro-1,13-diaza-dibenzo[a,j]anthracene-14-carboxylic acid methyl ester;CHEMBL1991307;DTXSID801109895;methyl dichloro(phenyl)[?]carboxylate;NSC-645588;NCI60_015572;129337-87-7;Benzo[1,2-h:5,4-h']diquinoline-14-carboxylic acid, 2,12-dichloro-5,6,8,9-tetrahydro-7-phenyl-, methyl ester

Chemical Property of 2,12-Dichloro-7-phenyl-5,6,8,9-tetrahydro-1,13-diaza-dibenzo[a,j]anthracene-14-carboxylic acid methyl ester

Chemical Property:

• XLogP3: 7.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 486.0901833
• Heavy Atom Count: 34
• Complexity: 702

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC(=O)C1=C2C(=C(C3=C1C4=C(CC3)C=CC(=N4)Cl)C5=CC=CC=C5)CCC6=C2N=C(C=C6)Cl

Technology Process of 2,12-Dichloro-7-phenyl-5,6,8,9-tetrahydro-1,13-diaza-dibenzo[a,j]anthracene-14-carboxylic acid methyl ester

There total 2 articles about 2,12-Dichloro-7-phenyl-5,6,8,9-tetrahydro-1,13-diaza-dibenzo[a,j]anthracene-14-carboxylic acid methyl ester 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:

2,12-Dichloro-7-phenyl-5,7,8,9-tetrahydro-6H-14-oxa-1,13-diaza-dibenzo[a,j]anthracene (129363-21-9) + methyl(dimethylphosphinyl)acetate (113493-51-9) → methyl 2,12-dichloro-7-phenyl-5,6,7,8-tetrahydro-1,13-diazadibenzanthracene-14-carboxylate (129337-87-7)

Guidance literature:

Yield given. Multistep reaction;

DOI:10.1021/ja00001a027

Reference yield:

trimethyl phosphonoacetate (5927-18-4) + 2,12-Dichloro-7-phenyl-5,7,8,9-tetrahydro-6H-14-oxa-1,13-diaza-dibenzo[a,j]anthracene (129363-21-9) → methyl 2,12-dichloro-7-phenyl-5,6,7,8-tetrahydro-1,13-diazadibenzanthracene-14-carboxylate (129337-87-7)

Guidance literature:

With sodium hydride; 2,3-dicyano-5,6-dichloro-p-benzoquinone; Yield given. Multistep reaction; 1.) CH₂Cl₂ 2.) THF;

DOI:10.1021/jo00303a006

Reference yield: 41.0%

methyl 2,12-dichloro-7-phenyl-5,6,7,8-tetrahydro-1,13-diazadibenzanthracene-14-carboxylate (129337-87-7) → methyl 2,12-dichloro-7-phenyl-1,13-diazadibenzanthracene-14-carboxylate (129337-88-8)

Guidance literature:

With 2,3-dicyano-5,6-dichloro-p-benzoquinone; In various solvent(s); Heating;

DOI:10.1021/jo00303a006

upstream raw materials:

trimethyl phosphonoacetate

2,12-Dichloro-7-phenyl-5,7,8,9-tetrahydro-6H-14-oxa-1,13-diaza-dibenzo[a,j]anthracene

methyl(dimethylphosphinyl)acetate

Downstream raw materials:

methyl 2,12-bis(9-anthracenyl)-7-phenyl-5,6,8,9-tetrahydro-1,13-diazadibenzanthracene-14-carboxylate

methyl 2,12-dichloro-7-phenyl-1,13-diazadibenzanthracene-14-carboxylate

methyl 2,12-bis(9-anthracenyl)-7-phenyl-1,13-diazadibenzanthracene-14-carboxylate

2,12-bis(9-anthracenyl)-7-phenyl-1,13-diazadibenzanthracene-14-carboxylic acid