7-Methyljuglone

Base Information

• Chemical Name: 7-Methyljuglone
• CAS No.: 14787-38-3
• Molecular Formula: C11H8 O3
• Molecular Weight: 188.183
• Hs Code.: 2914690090
• NSC Number: 624625,208733
• UNII: ZS3RW9P6DY
• DSSTox Substance ID: DTXSID80163824
• Nikkaji Number: J8.522G
• Wikidata: Q27108145
• Metabolomics Workbench ID: 67699
• ChEMBL ID: CHEMBL430853
• Mol file: 14787-38-3.mol

Synonyms:7-methyljuglone;ramentaceone

Chemical Property of 7-Methyljuglone

Chemical Property:

• Vapor Pressure: 6.68E-08mmHg at 25°C
• Boiling Point: 427.2°Cat760mmHg
• Flash Point: 226.3°C
• PSA: 54.37000
• Density: 1.371g/cm³
• LogP: 1.63580
• Storage Temp.: 2-8°C
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 188.047344113
• Heavy Atom Count: 14
• Complexity: 306

Purity/Quality:

99% ^*data from raw suppliers

5-Hydroxy-7-methylnaphthalene-1,4-dione 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=C(C(=O)C=CC2=O)C(=C1)O

Technology Process of 7-Methyljuglone

There total 2 articles about 7-Methyljuglone 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: 51.0%

1,8-Dihydroxy-3-methylnaphthalin (1130-61-6) → 5-hydroxy-2-methyl-1,4-naphthoquinone (481-42-5) + 7-methyljuglone (14787-38-3)

Guidance literature:

With salcomine; oxygen; In N,N-dimethyl-formamide; at 20 ℃; for 1h; Inert atmosphere;

DOI:10.1002/ange.202005733

Reference yield:

5,8-Diacetoxy-2-acetyl-4-chlor-3-methyl-1-naphthol (69945-30-8) → 7-methyljuglone (14787-38-3) + 5-chloro-8-hydroxy-6-methylnaphthalene-1,4-dione (52431-61-5) + Stypandron (1991-28-2) + 8-Chlorstypandron

Guidance literature:

Yield given. Multistep reaction;

Reference yield: 94.0%

7-methyljuglone (14787-38-3) + iodomethylbenzene (620-05-3) → 5-(benzyloxy)-7-methylnaphthalene-1,4-dione (75445-60-2)

Guidance literature:

With silver(l) oxide; In chloroform; Heating;

upstream raw materials:

5,8-Diacetoxy-2-acetyl-4-chlor-3-methyl-1-naphthol

1,8-Dihydroxy-3-methylnaphthalin

Downstream raw materials:

ismailin

8-O-methylchrysophanol

1-hydroxy-5-methoxy-3-methyl-9,10 dihydroanthracene 9,10-dione

neodiospyrin

Refernces

• 1、 Laatsch, Hartmut. "Dimeric Naphthoquinones, 17. Synthesis of Stypandrone and Dianellinone". . p. 377 - 385. Retrieved 2007/10/02.