Danshenxinkun B

Base Information

• Chemical Name: Danshenxinkun B
• CAS No.: 65907-76-8
• Molecular Formula: C18H16O3
• Molecular Weight: 280.32
• DSSTox Substance ID: DTXSID40415770
• Nikkaji Number: J182.007I
• Wikidata: Q82224752,Q105342369
• Mol file: 65907-76-8.mol

Synonyms:danshenxinkun B

Chemical Property of Danshenxinkun B

Chemical Property:

• PSA: 54.37000
• LogP: 3.83870
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 280.109944368
• Heavy Atom Count: 21
• Complexity: 503

Purity/Quality:

95%-98% ^*data from raw suppliers

DanshenxinkunB ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C2C=CC3=C(C2=CC=C1)C(=O)C(=O)C(=C3O)C(C)C

Technology Process of Danshenxinkun B

There total 9 articles about Danshenxinkun B 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:

1-methyl-2-vinyl-benzene (611-15-4) → danshenxinkun B (65907-76-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 2.) DDQ / 1.) AcOH, reflux

2: K₂CO₃ / tetrahydrofuran; H₂O

With potassium carbonate; 2,3-dicyano-5,6-dichloro-p-benzoquinone; In tetrahydrofuran; water;

DOI:10.1016/S0040-4039(00)76783-9

Reference yield:

2-methoxy-3-isopropyl-1,4-benzoquinone (123151-46-2) → danshenxinkun B (65907-76-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 2.) DDQ / 1.) AcOH, reflux

2: K₂CO₃ / tetrahydrofuran; H₂O

With potassium carbonate; 2,3-dicyano-5,6-dichloro-p-benzoquinone; In tetrahydrofuran; water;

DOI:10.1016/S0040-4039(00)76783-9

Reference yield:

2-Isopropyl-3-methoxy-8-methyl-phenanthrachinon-(1.4) (156744-71-7) → danshenxinkun B (65907-76-8)

Guidance literature:

With potassium carbonate; In tetrahydrofuran; water;

DOI:10.1016/S0040-4039(00)76783-9

upstream raw materials:

2-methylperoxypropionic acid

3-hydroxy-8-methylphenanthrene-1,4-dione

2-Isopropyl-3-methoxy-8-methyl-phenanthrachinon-(1.4)

1-methyl-2-vinyl-benzene

Refernces

• 1、 Zhang, Zhao-Rong,Flachsmann, Felix,Moghaddam, Firouz Matloubi,Rueedi, Peter. "Ultrasound-promoted synthesis of substituted phenanthrene-1,4-quinones; the structure of plectranthon D". . p. 2153 - 2156. Retrieved 2007/10/02.