4H-Cyclopenta(b)quinoline-4-acetic acid, 1,2,3,5,6,7,8,9-octahydro-9-(3,4,5-trimethoxyphenyl)-2,6,6-trimethyl-1,3,8-trioxo-

Base Information

• Chemical Name: 4H-Cyclopenta(b)quinoline-4-acetic acid, 1,2,3,5,6,7,8,9-octahydro-9-(3,4,5-trimethoxyphenyl)-2,6,6-trimethyl-1,3,8-trioxo-
• CAS No.: 78050-79-0
• Molecular Formula: C26H29 N O8
• Molecular Weight: 483.5104
• DSSTox Substance ID: DTXSID70999295
• Nikkaji Number: J74.718A
• Mol file: 78050-79-0.mol

Synonyms:BRN 5188336;78050-79-0;4H-Cyclopenta(b)quinoline-4-acetic acid, 1,2,3,5,6,7,8,9-octahydro- 9-(3,4,5-trimethoxyphenyl)-2,6,6-trimethyl-1,3,8-trioxo-;C26H29NO8;DTXSID70999295;C26-H29-N-O8;LS-58219;[2,6,6-Trimethyl-1,3,8-trioxo-9-(3,4,5-trimethoxyphenyl)-1,2,3,5,6,7,8,9-octahydro-4H-cyclopenta[b]quinolin-4-yl]acetic acid;1,2,3,5,6,7,8,9-Octahydro-9-(3,4,5-trimethoxyphenyl)-2,6,6-trimethyl-1,3,8-trioxo-4H-cyclopenta[b]quinoline-4-acetic acid

Chemical Property of 4H-Cyclopenta(b)quinoline-4-acetic acid, 1,2,3,5,6,7,8,9-octahydro-9-(3,4,5-trimethoxyphenyl)-2,6,6-trimethyl-1,3,8-trioxo-

Chemical Property:

• Vapor Pressure: 1.21E-18mmHg at 25°C
• Boiling Point: 666°Cat760mmHg
• Flash Point: 356.6°C
• PSA: 119.44000
• Density: 1.36g/cm³
• LogP: 2.81930
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 6
• Exact Mass: 483.18931688
• Heavy Atom Count: 35
• Complexity: 1010

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(=O)C2=C(C1=O)N(C3=C(C2C4=CC(=C(C(=C4)OC)OC)OC)C(=O)CC(C3)(C)C)CC(=O)O

Technology Process of 4H-Cyclopenta(b)quinoline-4-acetic acid, 1,2,3,5,6,7,8,9-octahydro-9-(3,4,5-trimethoxyphenyl)-2,6,6-trimethyl-1,3,8-trioxo-

There total 1 articles about 4H-Cyclopenta(b)quinoline-4-acetic acid, 1,2,3,5,6,7,8,9-octahydro-9-(3,4,5-trimethoxyphenyl)-2,6,6-trimethyl-1,3,8-trioxo- 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: 80.0%

2-((5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino)acetic acid (882-07-5) + 5-Methyl-3-(3',4',5'-trimethoxybenzylidene)-cyclopentane-1,2,4-trione (34947-63-2) → 2,6,6-Trimethyl-9-(3',4',5'-trimethoxyphenyl)-2,3,4,6,7,9-hexahydro-1H-cyclopenta<6>-quinoline-1,3,8-<5H>trione-4-carboxylic acid (78050-79-0)

Guidance literature:

In acetic acid; for 4h; Heating;

DOI:10.1007/BF00765716

upstream raw materials:

2-((5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino)acetic acid

5-Methyl-3-(3',4',5'-trimethoxybenzylidene)-cyclopentane-1,2,4-trione

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