Benzyl 7-(4-methoxyphenyl)-2-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Base Information

• Chemical Name: Benzyl 7-(4-methoxyphenyl)-2-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
• CAS No.: 5716-98-3
• Molecular Formula: C₂₃H₃₂O₄
• Molecular Weight: 372.505
• DSSTox Substance ID: DTXSID60386498
• Mol file: 5716-98-3.mol

Synonyms:5716-98-3;benzyl 7-(4-methoxyphenyl)-2-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate;ST017244;Oprea1_042141;SCHEMBL3325526;DTXSID60386498;STK073187;AKOS001612629;SR-01000425165;SR-01000425165-1

Chemical Property of Benzyl 7-(4-methoxyphenyl)-2-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Chemical Property:

• Vapor Pressure: 1.4E-19mmHg at 25°C
• Boiling Point: 702.5°Cat760mmHg
• Flash Point: 378.6°C
• Density: 1.27g/cm³
• XLogP3: 5.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 10
• Exact Mass: 569.24135246
• Heavy Atom Count: 42
• Complexity: 1010

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)OC)C4=CC(=C(C(=C4)OC)OC)OC)C(=O)OCC5=CC=CC=C5

Technology Process of Benzyl 7-(4-methoxyphenyl)-2-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

There total 39 articles about Benzyl 7-(4-methoxyphenyl)-2-methyl-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:

rac-3,3-ethanediyldioxy-16-(toluene-4-sulfonyloxy)-16,17-seco-pregn-5-ene-11,20-dione (122388-29-8) → rac-3,3-ethanediyldioxy-17βH-pregn-5-ene-11,20-dione (5716-98-3,116179-86-3)

Guidance literature:

With methanol; sodium methylate;

DOI:10.1021/ja01649a007

Reference yield:

rac-3,3-ethanediyldioxy-17βH-pregn-5-ene-11,20-dione (5716-98-3,116179-86-3) → rac-3,3-ethanediyldioxy-pregn-5-ene-11,20-dione (5716-98-3,116179-86-3)

Guidance literature:

With methanol; sodium methylate; benzene;

DOI:10.1021/ja01649a007

Reference yield:

rac-3,3-ethanediyldioxy-16-(toluene-4-sulfonyloxy)-16,17-seco-pregn-5-ene-11,20-dione (122388-29-8) → rac-3,3-ethanediyldioxy-pregn-5-ene-11,20-dione (5716-98-3,116179-86-3)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium tert-butylate; tert-butyl alcohol; benzene

2: methanol; aqueous potassium carbonate-solution

With methanol; potassium tert-butylate; potassium carbonate; tert-butyl alcohol; benzene;

DOI:10.1021/ja01649a007

upstream raw materials:

rac-3,3-ethanediyldioxy-16-(toluene-4-sulfonyloxy)-14β-pregna-5,16-diene-11,20-dione

benzene

rac-3,3-ethanediyldioxy-14β,17ξH-pregn-5-ene-11,16,20-trione

rac-3,3-ethanediyldioxy-11,20-dioxo-16,17-seco-14β-pregn-5-en-16-oic acid methyl ester

Downstream raw materials:

rac-14β,17ξH-pregn-4-ene-3,11,20-trione

rac-13α,17ξH-pregn-4-ene-3,11,20-trione

21-acetoxy-pregn-4-ene-3,11,20-trione

rac-21-hydroxy-pregn-4-ene-3,11,20-trione