Epi-catalponol

Base Information

• Chemical Name: Epi-catalponol
• CAS No.: 70368-23-9
• Molecular Formula: C₁₅H₁₈O₂
• Molecular Weight: 230.307
• DSSTox Substance ID: DTXSID30990561
• Nikkaji Number: J2.887.688B
• Wikidata: Q82980080
• ChEMBL ID: CHEMBL496446

Synonyms:epi-catalponol;70368-23-9;EpiCatalponol;2-Epicatalponol;CHEMBL496446;DTXSID30990561;1(2H)-Naphthalenone, 3,4-dihydro-4-hydroxy-2-(3-methyl-2-butenyl)-, (2S,4S)-;4-Hydroxy-2-(3-methylbut-2-en-1-yl)-3,4-dihydronaphthalen-1(2H)-one

Chemical Property of Epi-catalponol

Chemical Property:

• Vapor Pressure: 4.02E-06mmHg at 25°C
• Boiling Point: 369.8°Cat760mmHg
• Flash Point: 157.8°C
• Density: 1.095g/cm³
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 230.130679813
• Heavy Atom Count: 17
• Complexity: 315

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=CCC1CC(C2=CC=CC=C2C1=O)O)C
• Isomeric SMILES: CC(=CC[C@H]1C[C@@H](C2=CC=CC=C2C1=O)O)C

Technology Process of Epi-catalponol

There total 2 articles about Epi-catalponol 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: 59.0%

C21H32O2Si (1255144-47-8) → (2R,4S)-4-hydroxy-2-(3-methylbut-2-enyl)tetralin-1-one (34168-56-4) + (2R,4S)-4-hydroxy-2-(3-methylbut-2-enyl)tetralin-1-one (70368-23-9)

Guidance literature:

With tetrabutyl ammonium fluoride; In tetrahydrofuran; toluene; at 20 ℃; for 0.25h; Inert atmosphere;

DOI:10.1002/adsc.201000384

Reference yield:

(2R,4S)-4-hydroxy-2-(3-methylbut-2-enyl)tetralin-1-one (34168-56-4) → (2R,4S)-4-hydroxy-2-(3-methylbut-2-enyl)tetralin-1-one (70368-23-9)

Guidance literature:

With sodium hydroxide; In methanol; for 0.0833333h; Ambient temperature;

Reference yield:

catalponol (34168-56-4,57231-36-4,70368-23-9) → deoxylapachol (3568-90-9)

Guidance literature:

With manganese(IV) oxide; In benzene;

DOI:10.1248/cpb.23.392

upstream raw materials:

(2R,4S)-4-hydroxy-2-(3-methylbut-2-enyl)tetralin-1-one

C₂₁H₃₂O₂Si

Downstream raw materials:

deoxylapachol

p-bromobenzoylepicatalponol

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