9-Methylanthracene

Base Information

• Chemical Name: 9-Methylanthracene
• CAS No.: 779-02-2
• Molecular Formula: C15H12
• Molecular Weight: 192.26
• Hs Code.: 2902 90 00
• European Community (EC) Number: 212-299-7
• NSC Number: 400540
• UNII: 65NK4CIN03
• DSSTox Substance ID: DTXSID3061134
• Nikkaji Number: J3.327H
• Wikidata: Q18467085
• ChEMBL ID: CHEMBL1797294
• Mol file: 779-02-2.mol

Synonyms:9-methylanthracene

Chemical Property of 9-Methylanthracene

Chemical Property:

• Appearance/Colour: yellow to gold crystalline solid
• Melting Point: 79-81
• Refractive Index: 1.6959
• Boiling Point: 196-197at12mmHg
• Flash Point: 157.5°C
• PSA: 0.00000
• Density: 1.066
• LogP: 4.30140
• Storage Temp.: Store below +30°C.
• Solubility.: 0.0003mg/l
• Water Solubility.: Soluble in water (0,0003 mg/L at 25°C) and toluene. Slightly soluble in benzene.
• XLogP3: 5.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 192.093900383
• Heavy Atom Count: 15
• Complexity: 198

Purity/Quality:

98% ^*data from raw suppliers

9-Methylanthracene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,N
• Hazard Codes: Xn,N
• Statements: 22-41-50/53
• Safety Statements: 26-39-60-61

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Polycyclic Aromatic Hydrocarbons
• Canonical SMILES: CC1=C2C=CC=CC2=CC3=CC=CC=C13
• Uses: 9-Methylanthracene used as a Intermediates for pharmaceutical and chemical research.

Technology Process of 9-Methylanthracene

There total 130 articles about 9-Methylanthracene 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: 99.0%

dihydroxy-methyl-borane (13061-96-6) + 9-chloroanthracene (716-53-0) → 9-methylanthracene (779-02-2)

Guidance literature:

With dicyclohexyl-(2',6'-dimethoxybiphenyl-2-yl)-phosphane; potassium phosphate; palladium diacetate; In tetrahydrofuran; toluene; at 100 ℃; for 24h;

DOI:10.1002/anie.200353615

Reference yield: 97.0%

1-(2-(phenylmethyl)phenyl)ethanone (61608-94-4) → 9-methylanthracene (779-02-2)

Guidance literature:

With indium(III) triflate; In 1,2-dichloro-ethane; at 115 ℃; for 24h; Inert atmosphere;

DOI:10.1021/jo200861s

Reference yield: 92.0%

9-Bromoanthracene (1564-64-3) + [3-(dimethylamino)propyl]dimethyl aluminium(III) → 9-methylanthracene (779-02-2)

Guidance literature:

With tetrakis(triphenylphosphine)palladium dichloride; In benzene; at 80 ℃; for 2h;

DOI:10.1021/jo970822n

upstream raw materials:

methyl magnesium iodide

diethyl ether

anthracen-9(10H)-one

9,10-dihydro-9-methylanthracene

Downstream raw materials:

10-methyl-9-anthraldehyde

1-(10-methylanthracen-9-yl)ethanone

9,10-dihydroanthracene-9,10-α,β-succinimidederivative

9-chloromethyl-10-methyl-anthracene

Refernces

• 1、 Yang, Bingwei V.,Doweyko, Lidia M.. "Highly regioselective Diels-Alder reactions of 9-substituted anthracenes and 2-acetamidoacrylate: Synthesis of conformationally constrained α-amino acids". . p. 2857 - 2860. Retrieved 2005.
• 2、 Phumjan, Tanawat,Songthammawat, Poramate,Jongcharoenkamol, Jira,Batsomboon, Paratchata,Ruchirawat, Somsak,Ploypradith, Poonsakdi. "Substituted 9-Anthraldehydes from Dibenzocycloheptanol Epoxides via Acid-Catalyzed Epoxide Opening/Semipinacol Rearrangement". . p. 13322 - 13349. Retrieved 2021/09/13.
• 3、 Chari, Rama,Jayabalan, J.,Saha, Amrita,Singh, Asha. "Unraveling relation between nonlinear absorption and structure of push pull ornamented anthracenyl chalcone derivatives". . . Retrieved 2020/06/27.