2-Allyloxy-1,4-naphthoquinone

Base Information

• Chemical Name: 2-Allyloxy-1,4-naphthoquinone
• CAS No.: 40815-72-3
• Molecular Formula: C₁₃H₁₀O₃
• Molecular Weight: 214.221
• NSC Number: 92196
• DSSTox Substance ID: DTXSID90293782
• Nikkaji Number: J1.030.219F
• Wikidata: Q82032728
• ChEMBL ID: CHEMBL2059372
• Mol file: 40815-72-3.mol

Synonyms:2-allyloxy-1,4-naphthoquinone;40815-72-3;NSC92196;SCHEMBL8473068;CHEMBL2059372;DTXSID90293782;GJJKARQHSXJKNX-UHFFFAOYSA-N;NSC-92196

Chemical Property of 2-Allyloxy-1,4-naphthoquinone

Chemical Property:

• Vapor Pressure: 1.19E-05mmHg at 25°C
• Boiling Point: 369.4°C at 760 mmHg
• Flash Point: 165.7°C
• Density: 1.22g/cm³
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 214.062994177
• Heavy Atom Count: 16
• Complexity: 354

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CCOC1=CC(=O)C2=CC=CC=C2C1=O

Technology Process of 2-Allyloxy-1,4-naphthoquinone

There total 11 articles about 2-Allyloxy-1,4-naphthoquinone 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: 92.0%

2-hydroxynaphtho-1,4-quinone (83-72-7) + allyl alcohol (107-18-6) → 2-allyloxy-1,4-naphthoquinone (40815-72-3)

Guidance literature:

With sulfuric acid; In benzene; for 1.5h; Heating;

Reference yield: 75.0%

2-bromo-1,4-naphthoquinone (2065-37-4) + allyl alcohol (107-18-6) → 2-allyloxy-1,4-naphthoquinone (40815-72-3)

Guidance literature:

With cerium(III) chloride; iodine; for 0.0833333h; Irradiation;

DOI:10.1039/a601810f

Reference yield: 70.0%

2-chloro-1,4-naphthoquinone (1010-60-2) + allyl alcohol (107-18-6) → 2-allyloxy-1,4-naphthoquinone (40815-72-3)

Guidance literature:

With mercury(II) oxide; for 0.133333h; Irradiation;

DOI:10.1039/a803513j

upstream raw materials:

allyl iodid

2-hydroxy-1,4-naphthoquinone silver salt

2-hydroxynaphtho-1,4-quinone

allyl alcohol

Downstream raw materials:

3-allyl-2-hydroxy-1,4-naphthoquinone

2-methylnaphtho<1,2-b>furan-4,5-dione