Ethyl 2,7,7-trimethyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Base Information

Chemical Name:Ethyl 2,7,7-trimethyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
CAS No.:78080-70-3
Molecular Formula:C24H31NO6
Molecular Weight:429.513
Hs Code.:
DSSTox Substance ID:DTXSID70999311
ChEMBL ID:CHEMBL3409687
Mol file:78080-70-3.mol

Synonyms:BRN 5165506;78080-70-3;ethyl 2,7,7-trimethyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate;3-Quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-5-oxo-4-(3,4,5-trimethoxyphenyl)-2,7,7-trimethyl-, ethyl ester;ethyl 2,7,7-trimethyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,6,8-tetrahydroquinoline-3-carboxylate;SR-01000369409;Oprea1_368662;Oprea1_754077;CHEMBL3409687;DTXSID70999311;NGEIFOVGVAGVAM-UHFFFAOYSA-N;STK387212;AKOS000572350;AKOS016088230;LS-141640;AG-690/10377018;SR-01000369409-1;SR-01000369409-2;ethyl 2,7,7-trimethyl-5-oxo-4-[3,4,5-tris(methyloxy)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Suppliers and Price of Ethyl 2,7,7-trimethyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

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
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price

Total 1 raw suppliers

Chemical Property of Ethyl 2,7,7-trimethyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Chemical Property:

Vapor Pressure:4.55E-12mmHg at 25°C
Boiling Point:548.2°C at 760 mmHg
Flash Point:285.3°C
PSA：83.09000
Density:1.2g/cm³
LogP:4.20830
XLogP3:3.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:7
Exact Mass:429.21513771
Heavy Atom Count:31
Complexity:769

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C(=C3)OC)OC)OC)C(=O)CC(C2)(C)C)C

Technology Process of Ethyl 2,7,7-trimethyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

There total 3 articles about Ethyl 2,7,7-trimethyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate 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: 97.0%

: 141-97-9
ethyl acetoacetate

: 86-81-7
3,4,5-trimethoxy-benzaldehyde

: 126-81-8
dimedone

: 78080-70-3
5-Oxo-2,7,7-trimethyl-4-(3',4',5'-trimethoxyphenyl)-3-ethoxycarbonyl-1,4,5,6,7,8-hexahydroquinoline

Guidance literature:: With ammonium acetate; 2-methylpyridinium trifluoromethanesulphonate; In water; at 20 ℃; for 0.1h; Green chemistry;
DOI:10.1016/j.molliq.2012.09.017