Karwinaphthol B

Base Information

• Chemical Name: Karwinaphthol B
• CAS No.: 98891-35-1
• Molecular Formula: C₁₇H₂₀O₄
• Molecular Weight: 288.343
• DSSTox Substance ID: DTXSID00331861
• Nikkaji Number: J2.771.393I
• Wikidata: Q27107083
• Metabolomics Workbench ID: 69351

Synonyms:Karwinaphthol B;98891-35-1;C09942;(1R,3S)-7,9-dimethoxy-1,3-dimethyl-3,4-dihydro-1H-benzo[g]isochromen-10-ol;AC1L9D08;CHEBI:6114;DTXSID00331861;Q27107083

Chemical Property of Karwinaphthol B

Chemical Property:

• Vapor Pressure: 7.41E-08mmHg at 25°C
• Boiling Point: 426°Cat760mmHg
• Flash Point: 211.4°C
• PSA: 47.92000
• Density: 1.163g/cm³
• LogP: 3.58480
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 288.13615911
• Heavy Atom Count: 21
• Complexity: 361

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CC2=CC3=CC(=CC(=C3C(=C2C(O1)C)O)OC)OC
• Isomeric SMILES: C[C@H]1CC2=CC3=CC(=CC(=C3C(=C2[C@H](O1)C)O)OC)OC

Technology Process of Karwinaphthol B

There total 3 articles about Karwinaphthol 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: 60.0%

(1α,3α,4aα,5α,10aα)-7,9-dimethoxy-1,3-dimethyl-5-nitro-1,3,4,4a,5,10a-hexahydronaphtho<2,3-c>pyran-10-one → (+/-)-karwinaphthol B (98891-35-1)

Guidance literature:

In various solvent(s); for 14h; Heating;

Reference yield:

1,3-dimethoxy-5-(nitromethyl)benzene → (+/-)-karwinaphthol B (98891-35-1)

Guidance literature:

Multi-step reaction with 3 steps

1: 57 percent / AlCl₃ / CHCl₃ / a) 0 deg C, 2 h, b) 5 deg C, overnight

2: 84 percent / benzyltrimethylammonium hydroxide / methanol / Ambient temperature

3: 60 percent / various solvent(s) / 14 h / Heating

With aluminium trichloride; N-benzyl-trimethylammonium hydroxide; In methanol; chloroform;

Reference yield:

(4'',6''-dimethoxy-2''-nitromethylphenyl)(cis-2',6'-dimethyl-5',6'-dihydro-2'H-pyran-3'-yl)methanone → (+/-)-karwinaphthol B (98891-35-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 84 percent / benzyltrimethylammonium hydroxide / methanol / Ambient temperature

2: 60 percent / various solvent(s) / 14 h / Heating

With N-benzyl-trimethylammonium hydroxide; In methanol;

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