2-ethyl-2-[(2E)-2-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]cyclopentane-1,3-dione

Base Information

• Chemical Name: 2-ethyl-2-[(2E)-2-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]cyclopentane-1,3-dione
• CAS No.: 62298-52-6
• Molecular Formula: C20H24 O3
• Molecular Weight: 312.409
• European Community (EC) Number: 613-005-3
• DSSTox Substance ID: DTXSID801036345
• Nikkaji Number: J195.123H
• Mol file: 62298-52-6.mol

Synonyms:13-EMSGTD;13-ethyl-3-methoxy-8,14-secogona-1,3,5(10),9(11)-tetraene-14,17-dione

Chemical Property of 2-ethyl-2-[(2E)-2-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]cyclopentane-1,3-dione

Chemical Property:

• Vapor Pressure: 1.56E-09mmHg at 25°C
• Melting Point: 65-67℃
• Boiling Point: 484.3°C at 760 mmHg
• Flash Point: 213°C
• PSA: 43.37000
• Density: 1.151
• LogP: 4.13340
• Water Solubility.: 21mg/L at 25℃
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 312.17254462
• Heavy Atom Count: 23
• Complexity: 489

Purity/Quality:

99% ^*data from raw suppliers

13-ETHYL-3-METHOXY-8,14-SECOGONA-1,3,5(10),9(11)-TETRAENE-14,17-DIONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1(C(=O)CCC1=O)CC=C2CCCC3=C2C=CC(=C3)OC
• Isomeric SMILES: CCC1(C(=O)CCC1=O)C/C=C/2\CCCC3=C2C=CC(=C3)OC

Technology Process of 2-ethyl-2-[(2E)-2-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]cyclopentane-1,3-dione

There total 1 articles about 2-ethyl-2-[(2E)-2-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]cyclopentane-1,3-dione 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:

→ ethyl secodione (62298-52-6)

Guidance literature:

2-Ethylcyclopentan-1,3-dion, 6-Methoxy-1-vinyltetralol, KOH;

Reference yield: 56.0%

ethyl secodione (62298-52-6) → (13R,17S)-E-13-ethyl-3-methoxy-8,14-secogona-1,3,5(10),9(11)-tetraene-17-ol-14-one (51773-49-0)

Guidance literature:

With D-glucose; glucose dehydrogenase from Bacillus megaterium; nicotinamide adenine dinucleotide phosphate; In aq. phosphate buffer; ethanol; at 28 ℃; for 6h; pH=8; Reagent/catalyst; stereoselective reaction; Microbiological reaction;

DOI:10.1002/ejoc.201501557

Reference yield:

ethyl secodione (62298-52-6) → (13R,17S)-E-13-ethyl-3-methoxy-8,14-secogona-1,3,5(10),9(11)-tetraene-17-ol-14-one (51773-49-0) + (13S,17R)-E-13-ethyl-3-methoxy-8,14-secogona-1,3,5(10),9(11)-tetraene-17-ol-14-one

Guidance literature:

With Pichia capsulata CBS 1993; In aq. phosphate buffer; ethanol; at 28 ℃; for 96h; pH=7; Reagent/catalyst; stereoselective reaction; Microbiological reaction;

DOI:10.1002/ejoc.201501557

Downstream raw materials:

(13R,17S)-E-13-ethyl-3-methoxy-8,14-secogona-1,3,5⁽¹⁰⁾,9⁽¹¹⁾-tetraene-17-ol-14-one

13β-Aethyl-3-methoxy-gonapentaen-(1.3.5(10).8.14)-ol-(17β)