2,8-Dimethyl-1,4-naphthoquinone

Base Information

• Chemical Name: 2,8-Dimethyl-1,4-naphthoquinone
• CAS No.: 63837-76-3
• Molecular Formula: C12H10O2
• Molecular Weight: 186.21
• DSSTox Substance ID: DTXSID60457915
• Nikkaji Number: J1.148.578B
• Wikidata: Q82280977

Synonyms:2,8-dimethyl-1,4-naphthoquinone;63837-76-3;SCHEMBL5811709;DTXSID60457915;AKOS006321573

Chemical Property of 2,8-Dimethyl-1,4-naphthoquinone

Chemical Property:

• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 186.068079557
• Heavy Atom Count: 14
• Complexity: 314

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2,8-Dimethyl-1,4-naphthoquinone

There total 2 articles about 2,8-Dimethyl-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:

1-methylbuta-1,3-diene (2004-70-8,17410-45-6,25212-15-1,64940-84-7) + 2-Methyl-1,4-benzoquinone (553-97-9) → 2,8-dimethylnaphthalene-1,4-dione (63837-76-3) + 2,5-dimethylnaphthalene-1,4-dione (46255-71-4)

Guidance literature:

1-methylbuta-1,3-diene; 2-Methyl-1,4-benzoquinone; antimonypentachloride; In toluene; at -70 ℃; for 2h;

With chromium(VI) oxide; acetic acid; In water; at 70 ℃; for 0.25h;

DOI:10.1016/S0040-4039(00)01968-7

Reference yield:

penta-1,3-diene (504-60-9,17410-45-6,25212-15-1,64940-84-7) + 2-Methyl-1,4-benzoquinone (553-97-9) → 2,8-dimethylnaphthalene-1,4-dione (63837-76-3) + 2,5-dimethylnaphthalene-1,4-dione (46255-71-4)

Guidance literature:

With antimonypentachloride; regioselective reaction;

DOI:10.3987/COM-18-S(F)12

Reference yield: 75.0%

4-Trifluoromethylphenylacetic acid (32857-62-8) + 2,8-dimethylnaphthalene-1,4-dione (63837-76-3) → 3,5-dimethyl-2-(4-(trifluoromethyl)benzyl)naphthalene-1,4-dione (1402041-31-9)

Guidance literature:

With 2H₃N*H₂O₄S₂; silver nitrate; In water; acetonitrile; at 70 - 85 ℃;

DOI:10.1002/ejoc.201600144

upstream raw materials:

1-methylbuta-1,3-diene

2-Methyl-1,4-benzoquinone

penta-1,3-diene

Downstream raw materials:

3-methylphthalic acid

3,5-dimethyl-2-(4-(trifluoromethyl)benzyl)naphthalene-1,4-dione

2-(4-bromobenzyl)-3,5-dimethylnaphthalene-1,4-dione

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