p-Aspidin

Base Information

• Chemical Name: p-Aspidin
• CAS No.: 989-54-8
• Molecular Formula: C25H32O8
• Molecular Weight: 460.5168
• UNII: PEU4NN4UZ8
• DSSTox Substance ID: DTXSID60912998
• Nikkaji Number: J12.312I
• Wikidata: Q82883503,Q104964792
• Mol file: 989-54-8.mol

Synonyms:p-Aspidin;p-Aspidin BB;Paraaspidin;BRN 2230587;989-54-8;Butyrophenone, 3'-((5-butyryl-2,4-dihydroxy-3,3-dimethyl-6-oxo-1,4-cyclohexadien-1-yl)methyl)-2',6'-dihydroxy-4'-methoxy-5'-methyl-;2,5-Cyclohexadien-1-one, 2-[[2,4-dihydroxy-6-methoxy-5-methyl-3-(1-oxobutyl)phenyl]methyl]-3,5-dihydroxy-4,4-dimethyl-6-(1-oxobutyl)-;2-butanoyl-4-[(3-butanoyl-2,4-dihydroxy-6-methoxy-5-methylphenyl)methyl]-3,5-dihydroxy-6,6-dimethylcyclohexa-2,4-dien-1-one;3-08-00-04399 (Beilstein Handbook Reference);Para-aspidin;para-Aspidin BB;Butyrophenone, 3'-[(5-butyryl-2,4-dihydroxy-3,3-dimethyl-6-oxo-1,4-cyclohexadien-1-yl)methyl]-2',6'-dihydroxy-4'-methoxy-5'-methyl-;PEU4NN4UZ8;DTXSID60912998;CMKHZPXDAXVNES-UHFFFAOYSA-N;LS-48298;2-[[2,4-Dihydroxy-6-methoxy-5-methyl-3-(1-oxobutyl)phenyl]methyl]-3,5-dihydroxy-4,4-dimethyl-6-(1-oxobutyl)-2,5-cyclohexadien-1-one;2-Butyryl-6-(3-butyryl-2,4-dihydroxy-6-methoxy-5-methylbenzyl)-3,5-dihydroxy-4,4-dimethyl-2,5-cyclohexadien-1-one #

Chemical Property of p-Aspidin

Chemical Property:

• Vapor Pressure: 6.59E-17mmHg at 25°C
• Boiling Point: 633.3°Cat760mmHg
• Flash Point: 209.5°C
• PSA: 141.36000
• Density: 1.285g/cm³
• LogP: 4.54240
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 9
• Exact Mass: 460.20971797
• Heavy Atom Count: 33
• Complexity: 853

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCC(=O)C1=C(C(=C(C(=C1O)C)OC)CC2=C(C(C(=O)C(=C2O)C(=O)CCC)(C)C)O)O

Technology Process of p-Aspidin

There total 2 articles about p-Aspidin 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:

formaldehyd (50-00-0,30525-89-4,61233-19-0) + aspidinol (519-40-4) + 4,4-dimethyl-3,5-dihydroxy-2-butanoyl-2,5-cyclohexadienone (4133-77-1) → 2-butyryl-6-(3-butyryl-2,4-dihydroxy-6-methoxy-5-methyl-benzyl)-3,5-dihydroxy-4,4-dimethyl-cyclohexa-2,5-dienone (989-54-8)

Guidance literature:

With potassium hydroxide;

Reference yield:

→ 2-butyryl-6-(3-butyryl-2,4-dihydroxy-6-methoxy-5-methyl-benzyl)-3,5-dihydroxy-4,4-dimethyl-cyclohexa-2,5-dienone (989-54-8)

Guidance literature:

Flavaspidic acid III, Aspidinol;

Reference yield:

2-butyryl-6-(3-butyryl-2,4-dihydroxy-6-methoxy-5-methyl-benzyl)-3,5-dihydroxy-4,4-dimethyl-cyclohexa-2,5-dienone (989-54-8) → aspidinol (519-40-4)

Guidance literature:

With sodium hydroxide; zinc;

upstream raw materials:

formaldehyd

aspidinol

4,4-dimethyl-3,5-dihydroxy-2-butanoyl-2,5-cyclohexadienone

Downstream raw materials:

aspidinol

4,4-dimethyl-3,5-dihydroxy-2-butanoyl-2,5-cyclohexadienone

1-(2,6-dihydroxy-4-methoxy-3,5-dimethyl-phenyl)-butan-1-one

Refernces

Protecting group free enantiospecific total syntheses of structurally diverse natural products of the tetrahydrocannabinoid family

10.1039/c4cc08562k

The study presents a protecting group-free enantiospecific total synthesis of structurally diverse natural products belonging to the tetrahydrocannabinoid family. The researchers developed a simple, highly diastereoselective method using Lewis acid catalyzed Friedel-Crafts coupling of cyclic allylic alcohol with resorcinol derivatives. Key chemicals used in the study include R-(+) and S-(-) limonene as starting materials, allylic alcohol 14 and electron-rich aromatic moiety 15 for coupling, and BF3·OEt2 as the best catalyst for the cyclization reaction. The purpose of these chemicals was to achieve the synthesis of natural products like machaeriol-D, Δ8-THC, Δ9-THC, epi-perrottetinene, and their analogues with high atom economy, without the need for protecting groups, and in a short sequence of less than six steps, starting from readily available and inexpensive materials.

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