1(2h)-Naphthalenone, 3,4-dihydro-6-methoxy-2-[(4-methoxyphenyl)methylene]-,(2e)-

Base Information

• Chemical Name: 1(2h)-Naphthalenone, 3,4-dihydro-6-methoxy-2-[(4-methoxyphenyl)methylene]-,(2e)-
• CAS No.: 88795-86-2
• Molecular Formula: C₁₁H₂₀O₂
• Molecular Weight: 184.279
• Hs Code.: 2932999099
• DSSTox Substance ID: DTXSID90351659
• Wikidata: Q82128237
• Mol file: 88795-86-2.mol

Synonyms:1(2h)-naphthalenone, 3,4-dihydro-6-methoxy-2-[(4-methoxyphenyl)methylene]-,(2e)-;DTXSID90351659;KZEFPCJXJJHUOS-PTNGSMBKSA-N;Z46584356;2H-Naphtalen-1-one, 3,4-dihydro-6-methoxy-2-(4-methoxybenzylideno)-;(2Z)-6-Methoxy-2-(4-methoxybenzylidene)-3,4-dihydro-1(2H)-naphthalenone #

Chemical Property of 1(2h)-Naphthalenone, 3,4-dihydro-6-methoxy-2-[(4-methoxyphenyl)methylene]-,(2e)-

Chemical Property:

• Vapor Pressure: 0.0195mmHg at 25°C
• Boiling Point: 252.3oC at 760 mmHg
• Flash Point: 92.6oC
• PSA: 26.30000
• Density: 0.92g/cm3
• LogP: 2.56080
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 294.125594432
• Heavy Atom Count: 22
• Complexity: 420

Purity/Quality:

97% ^*data from raw suppliers

1-(2,2-dimethyltetrahydro-2H-pyran-4-yl)butan-1-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C=C2CCC3=C(C2=O)C=CC(=C3)OC
• Isomeric SMILES: COC1=CC=C(C=C1)/C=C\2/CCC3=C(C2=O)C=CC(=C3)OC

Technology Process of 1(2h)-Naphthalenone, 3,4-dihydro-6-methoxy-2-[(4-methoxyphenyl)methylene]-,(2e)-

There total 6 articles about 1(2h)-Naphthalenone, 3,4-dihydro-6-methoxy-2-[(4-methoxyphenyl)methylene]-,(2e)- 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:

2,2-dimethyltetrahydro-2H-pyran-4-carbaldehyde (34941-21-4) → 1-(2,2-dimethyltetrahydropyran-4-yl)-1-butanone (88795-86-2)

Guidance literature:

Multi-step reaction with 3 steps

1: sodium ethoxide / benzene / 5 h / 60 - 65 °C

2: aq.NaOH / 3 h / 75 - 80 °C

3: 3 h / 200 - 220 °C

With sodium hydroxide; sodium ethanolate; In benzene;

Reference yield:

1-(2,2-dimethyl-3,6-dihydro-2H-pyran-4-yl)-but-2ξ-en-1-one → 1-(2,2-dimethyltetrahydropyran-4-yl)-1-butanone (88795-86-2)

Guidance literature:

With ethanol; platinum; Hydrogenation;

Reference yield:

2-ethyl-3-(2,2-dimethyltetryhydropyran-4-yl)-2,3-epoxypropionic acid → 1-(2,2-dimethyltetrahydropyran-4-yl)-1-butanone (88795-86-2)

Guidance literature:

at 200 - 220 ℃; for 3h; Yield given;

upstream raw materials:

2,2-dimethyltetrahydro-2H-pyran-4-carbonitrile

propyl bromide

2,2-dimethyltetrahydro-2H-pyran-4-carbaldehyde

ethyl ester of the 2-ethyl-3-(2,2-dimethyltetryhydropyran-4-yl)-2,3-epoxypropionic acid

Refernces