1,3-Cyclohexanedione, 2,2'-[(2-nitrophenyl)methylene]bis[5,5-dimethyl-

Base Information

• Chemical Name: 1,3-Cyclohexanedione, 2,2'-[(2-nitrophenyl)methylene]bis[5,5-dimethyl-
• CAS No.: 183737-77-1
• Molecular Formula: C23H27NO6
• Molecular Weight: 413.47
• DSSTox Substance ID: DTXSID40361561
• Nikkaji Number: J2.197.526E
• Wikidata: Q82143923
• Mol file: 183737-77-1.mol

Synonyms:Tetraketone, 16;183737-77-1;1,3-Cyclohexanedione, 2,2'-[(2-nitrophenyl)methylene]bis[5,5-dimethyl-;Oprea1_451637;Oprea1_604955;BDBM86081;DTXSID40361561;2,2'-(2-Nitrobenzylidene)bis(5,5-dimethylcyclohexane-1,3-dione)

Chemical Property of 1,3-Cyclohexanedione, 2,2'-[(2-nitrophenyl)methylene]bis[5,5-dimethyl-

Chemical Property:

• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 413.18383758
• Heavy Atom Count: 30
• Complexity: 689

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CC(=O)C(C(=O)C1)C(C2C(=O)CC(CC2=O)(C)C)C3=CC=CC=C3[N+](=O)[O-])C

Technology Process of 1,3-Cyclohexanedione, 2,2'-[(2-nitrophenyl)methylene]bis[5,5-dimethyl-

There total 1 articles about 1,3-Cyclohexanedione, 2,2'-[(2-nitrophenyl)methylene]bis[5,5-dimethyl- 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: 96.0%

dimedone (126-81-8) + 2-nitro-benzaldehyde (552-89-6) → 2,2'-((2-nitrophenyl)methylene)bis(5,5-dimethylcyclohexane-1,3-dione) (183737-77-1)

Guidance literature:

With 6A-{{2-{{2-[(2-aminoethyl)amino]ethyl}amino}ethyl}amino}-6A-deoxy-β-cyclodextrin; In water; at 20 ℃; for 1h;

DOI:10.1039/c6ra01002d

Reference yield: 82.0%

2,2'-((2-nitrophenyl)methylene)bis(5,5-dimethylcyclohexane-1,3-dione) (183737-77-1) → 3,3,6,6?tetramethyl?9?(2?nitrophenyl)?3,4,6,7,9,10?hexahydroacridine?1,8(2H,5H)?dione (162784-88-5)

Guidance literature:

With ammonium acetate; acetic acid; for 8h; Heating;

DOI:10.1081/SCC-200063947

Reference yield: 40.0%

2,2'-((2-nitrophenyl)methylene)bis(5,5-dimethylcyclohexane-1,3-dione) (183737-77-1) → 3,3,6,6-tetramethyl-9-(2-nitrophenyl)-3,4,5,6,9,10-hexahydroacridine-1,8(2H,7H)-dione

Guidance literature:

With hydrogenchloride; sodium azide;

DOI:10.1107/S0108270196008530

upstream raw materials:

dimedone

2-nitro-benzaldehyde

Downstream raw materials:

3,3-dimethyl-3,4-dihydroacridin-1(2H)-one

3,3,6,6?tetramethyl?9?(2?nitrophenyl)?3,4,6,7,9,10?hexahydroacridine?1,8(2H,5H)?dione