2-Phenylethyl 4-(1,3-benzodioxol-5-yl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate

Base Information

• Chemical Name: 2-Phenylethyl 4-(1,3-benzodioxol-5-yl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
• CAS No.: 5767-61-3
• Molecular Formula: C₁₈H₂₀N₄O₄
• Molecular Weight: 356.381
• DSSTox Substance ID: DTXSID70386621

Synonyms:5767-61-3;AG-690/12868952;2-Phenylethyl 4-(1,3-benzodioxol-5-yl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate;CBMicro_032306;MixCom6_001970;Oprea1_122814;Oprea1_444614;DTXSID70386621;NCVKOWLYHXVRQM-UHFFFAOYSA-N;CCG-15962;STK376642;AKOS000657400;BIM-0032265.P001;EU-0069885;SR-01000417859;SR-01000417859-1;2-phenylethyl 4-(1,3-benzodioxol-5-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate;2-phenylethyl 4-(1,3-benzodioxol-5-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Chemical Property of 2-Phenylethyl 4-(1,3-benzodioxol-5-yl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate

Chemical Property:

• Vapor Pressure: 2.58E-15mmHg at 25°C
• Boiling Point: 620.4°Cat760mmHg
• Flash Point: 329°C
• PSA: 73.86000
• Density: 1.27g/cm³
• LogP: 5.13400
• XLogP3: 5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 459.20457303
• Heavy Atom Count: 34
• Complexity: 881

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)(C)C)C3=CC4=C(C=C3)OCO4)C(=O)OCCC5=CC=CC=C5

Technology Process of 2-Phenylethyl 4-(1,3-benzodioxol-5-yl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate

There total 4 articles about 2-Phenylethyl 4-(1,3-benzodioxol-5-yl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-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:

(2,4-dimethyl-5-oxo-1-phenyl-2,5-dihydro-1H-pyrazol-3-ylmethyl)-ethyl-malonic acid diethyl ester (5767-58-8) + urea (57-13-6) → 1-Phenyl-3-(2,4,6-trioxo-5-ethyl-hexahydro-5-pyrimidinyl-methyl)-2,4-dimethyl-3-pyrazolin-5-on (5767-61-3)

Guidance literature:

With sodium ethanolate; at 120 ℃;

Reference yield:

3-Bromomethyl-2,4-dimethyl-1-phenyl-3-pyrazolin-5-on (60473-57-6) → 1-Phenyl-3-(2,4,6-trioxo-5-ethyl-hexahydro-5-pyrimidinyl-methyl)-2,4-dimethyl-3-pyrazolin-5-on (5767-61-3)

Guidance literature:

Multi-step reaction with 2 steps

1: xylene

2: sodium ethylate / 120 °C

With sodium ethanolate; xylene;

Reference yield:

Diethyl ethylsodiomalonate (18995-13-6) → 1-Phenyl-3-(2,4,6-trioxo-5-ethyl-hexahydro-5-pyrimidinyl-methyl)-2,4-dimethyl-3-pyrazolin-5-on (5767-61-3)

Guidance literature:

Multi-step reaction with 2 steps

1: xylene

2: sodium ethylate / 120 °C

With sodium ethanolate; xylene;

upstream raw materials:

(2,4-dimethyl-5-oxo-1-phenyl-2,5-dihydro-1H-pyrazol-3-ylmethyl)-ethyl-malonic acid diethyl ester

urea

3-Bromomethyl-2,4-dimethyl-1-phenyl-3-pyrazolin-5-on

Diethyl ethylsodiomalonate

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 5767-61-3 2-phenylethyl 4-(1,3-benzodioxol-5-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Send

Send

Metric Ton KG G Pound L ML

Send

Send