2-Methylnaphth[1,2-d]oxazole

Base Information

• Chemical Name: 2-Methylnaphth[1,2-d]oxazole
• CAS No.: 85-15-4
• Molecular Formula: C12H9 N O
• Molecular Weight: 183.21
• Hs Code.: 2934999090
• European Community (EC) Number: 201-589-9
• DSSTox Substance ID: DTXSID50883264
• Nikkaji Number: J192.627F
• Wikidata: Q72493279
• Mol file: 85-15-4.mol

Synonyms:2-Methylnaphth[1,2-d]oxazole;85-15-4;2-Methylnaphtho[1,2-d]oxazole;2-methylbenzo[e][1,3]benzoxazole;2-methyl-naphth[1,2-d]oxazole;2-methylnaphtho[1,2-d][1,3]oxazole;2-methylnaphthoxazole;Naphth[1,2-d]oxazole, 2-methyl-;2-Methylnaphth(1,2-d)oxazole;EINECS 201-589-9;Naphth(1,2-d)oxazole, 2-methyl-;2-Methylnaphtho(1,2-d)oxazole;SCHEMBL132481;2-methylnaphtho[1,2-d]oxazol;2-Methylnaphthyl[1,2-d]oxazole;JCTNVNANPZAULC-UHFFFAOYSA-;DTXSID50883264;CCG-19816;MFCD00051328;AKOS000546921;AC-19518;CS-0456305;FT-0608335;D91477;A923562

Chemical Property of 2-Methylnaphth[1,2-d]oxazole

Chemical Property:

• Appearance/Colour: light yellow oil liquid
• Vapor Pressure: 0.000565mmHg at 25°C
• Melting Point: -15 ºC
• Refractive Index: 1.6350 to 1.6390
• Boiling Point: 321.3 °C at 760 mmHg
• PKA: 2.16±0.30(Predicted)
• Flash Point: 131.1 °C
• PSA: 26.03000
• Density: 1.182
• LogP: 3.28940
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 183.068413911
• Heavy Atom Count: 14
• Complexity: 218

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-Methylnaphth[1,2-d]oxazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,Xi
• Hazard Codes: Xn,Xi

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=NC2=C(O1)C=CC3=CC=CC=C32

Technology Process of 2-Methylnaphth[1,2-d]oxazole

There total 11 articles about 2-Methylnaphth[1,2-d]oxazole 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%

acetic anhydride (108-24-7) + 1-amino-2-naphthol (2834-92-6) → 2-methylnaphtho[1,2-d]oxazole (85-15-4)

Guidance literature:

With sodium dodecyl-sulfate; In water; for 0.166667 - 0.25h;

Reference yield: 40.0%

1,2-naphthoquinone 1-oxime (2636-79-5) + ethyl iodide (75-03-6) → 2-methylnaphtho[1,2-d]oxazole (85-15-4)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 25 ℃; for 17h;

DOI:10.1021/jo026771y

Reference yield: 25.0%

1-[(1-methylcyclopropyl)azo]-2-naphthol → 3-methyl-1-(2-hydroxy-1-naphthyl)-1H-pyrazole (1202819-59-7) + naphtho[1,2-d]oxazole (233-70-5) + 2-methylnaphtho[1,2-d]oxazole (85-15-4)

Guidance literature:

In 1,2-dichloro-benzene; for 3.5h; Inert atmosphere; Reflux;

DOI:10.1007/s11172-008-0227-0

upstream raw materials:

1-acetylamino-naphthalen-2-ol

acetic anhydride

1-amino-2-naphthol

sodium acetate

Downstream raw materials:

1-acetylamino-naphthalen-2-ol

2-(4-chloro-styryl)-naphtho[1,2-d]oxazole

Refernces

• 1、 Novikov,Klimenko,Shulishov,Korolev,Tomilov. "Thermal transformation of cyclopropylazoarenes into the five-membered nitrogen-containing heterocycles". experimental part. p. 1718 - 1724. Retrieved 2011/04/23.
• 2、 Katritzky, Alan R.,Wang, Zuoquan,Hall, C. Dennis,Akhmedov, Novruz G.,Shestopalov, Aleksandr A.,Steel, Peter J.. "Cyclization of α-Oxo-oximes to 2-Substituted Benzoxazoles". . p. 9093 - 9099. Retrieved 2007/10/03.