3,4-Dimethoxydalbergione

Base Information

• Chemical Name: 3,4-Dimethoxydalbergione
• CAS No.: 3755-64-4
• Molecular Formula: C₁₇H₁₆O₄
• Molecular Weight: 284.312
• DSSTox Substance ID: DTXSID70958625
• Nikkaji Number: J62.156K
• Wikidata: Q76010043
• Metabolomics Workbench ID: 23079
• ChEMBL ID: CHEMBL1591258
• Mol file: 3755-64-4.mol

Synonyms:3,4-dimethoxydalbergione

Chemical Property of 3,4-Dimethoxydalbergione

Chemical Property:

• Vapor Pressure: 2E-08mmHg at 25°C
• Boiling Point: 453.8°Cat760mmHg
• Flash Point: 201.7°C
• PSA: 52.60000
• Density: 1.18g/cm³
• LogP: 2.53880
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 284.10485899
• Heavy Atom Count: 21
• Complexity: 507

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C(=O)C(=CC1=O)C(C=C)C2=CC=CC=C2)OC
• Isomeric SMILES: COC1=C(C(=O)C(=CC1=O)[C@H](C=C)C2=CC=CC=C2)OC

Technology Process of 3,4-Dimethoxydalbergione

There total 1 articles about 3,4-Dimethoxydalbergione 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:

(R)-3,4-Dimethoxy-dalbergiquinol → 3,4-dimethoxydalbergione (3755-64-4)

Guidance literature:

With oxygen; potassium carbonate;

DOI:10.1016/S0031-9422(00)94594-1

Reference yield:

3,4-dimethoxydalbergione (3755-64-4) → Octahydro-R-3,4-dimethoxy-dalbergion-chinol

Guidance literature:

With hydrogen; platinum(IV) oxide; In acetic acid;

DOI:10.1016/S0040-4020(01)93925-0

Reference yield:

3,4-dimethoxydalbergione (3755-64-4) → (R)-3,4-Dimethoxy-dalbergion-hydrochinon-diacetat (4646-97-3)

Guidance literature:

Multistep reaction; (i) Na₂S₂O₄, (ii) (acetylation);

DOI:10.1016/S0040-4020(01)93925-0

Downstream raw materials:

(R)-3,4-Dimethoxy-dalbergion-hydrochinon-diacetat