BI-Lawsone

Base Information

• Chemical Name: BI-Lawsone
• CAS No.: 33440-64-1
• Molecular Formula: C20H10O6
• Molecular Weight: 346.296
• Hs Code.: 2914400090
• European Community (EC) Number: 626-577-4
• Nikkaji Number: J1.094.551H
• Wikidata: Q105119793
• ChEMBL ID: CHEMBL2227811
• Mol file: 33440-64-1.mol

Synonyms:2,2'-bi(3-hydroxy-1,4-naphthoquinone);H2bhnq cpd

Chemical Property of BI-Lawsone

Chemical Property:

• Melting Point: 250 °C
• Boiling Point: 511.3 °C at 760 mmHg
• Flash Point: 277.1 °C
• PSA: 108.74000
• Density: 1.691 g/cm³
• LogP: 2.76900
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 346.04773803
• Heavy Atom Count: 26
• Complexity: 720

Purity/Quality:

97% ^*data from raw suppliers

2,2'-Bis(3-hydroxy-1,4-naphthoquinone) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=C(C(=O)C2=O)C3=C(C4=CC=CC=C4C(=O)C3=O)O)O

Technology Process of BI-Lawsone

There total 8 articles about BI-Lawsone 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: 73.0%

2,2'-binaphthoquinone (3408-13-7) → 2,2'-bis(3-hydroxy-1,4-naphthoquinone) (33440-64-1) + 5-hydroxydinaphtho<1,2-b:2',3'-d>furan-7,12-quinone (74066-60-7)

Guidance literature:

With sodium hydroxide; dihydrogen peroxide; In 1,4-dioxane; for 0.0833333h;

DOI:10.1002/jlac.198319831104

Reference yield: 52.0%

2-hydroxynaphtho-1,4-quinone (83-72-7) → 2,2'-bis(3-hydroxy-1,4-naphthoquinone) (33440-64-1)

Guidance literature:

With ammonium peroxydisulfate; sodium hydroxide; In water; at 95 ℃; for 0.666667h; Inert atmosphere;

DOI:10.1002/anie.201711535

Reference yield: 45.0%

2-methoxy-1,4-naphthoquinone (2348-82-5) → 2,2'-bis(3-hydroxy-1,4-naphthoquinone) (33440-64-1)

Guidance literature:

With perchloric acid; ammonium vanadate; In water; acetone; for 0.416667h; Heating;

DOI:10.1080/00397919908086137

upstream raw materials:

2-hydroxynaphtho-1,4-quinone

2,2'-binaphthoquinone

2-methoxy-1,4-naphthoquinone

1,2,4-triacetyloxynaphthalene

Downstream raw materials:

benzene-1,2-dicarboxylic acid

Dinaphtho<2,3-b;2',3'-d>furan-5,13;7,12-dichinon

Dinaphtho<2,3-b;1',2'-d>furan-5,13;11,12-dichinon