6-Methoxy-2-methylbenzoxazole

Base Information

• Chemical Name: 6-Methoxy-2-methylbenzoxazole
• CAS No.: 23999-64-6
• Molecular Formula: C9H9NO2
• Molecular Weight: 163.176
• Hs Code.: 2934999090
• European Community (EC) Number: 245-978-1
• NSC Number: 142172
• UNII: W7N89V5FVH
• DSSTox Substance ID: DTXSID30178726
• Nikkaji Number: J242.717F
• Wikidata: Q83049203
• Mol file: 23999-64-6.mol

Synonyms:6-Methoxy-2-methylbenzo[d]oxazole;23999-64-6;6-Methoxy-2-methylbenzoxazole;6-methoxy-2-methyl-1,3-benzoxazole;EINECS 245-978-1;NSC-142172;benzoxazole, 6-methoxy-2-methyl-;Benzoxazole,6-methoxy-2-methyl-;NSC142172;W7N89V5FVH;SCHEMBL6791597;DTXSID30178726;MFCD00086013;2-METHYL-6-METHOXYBENZOXAZOLE;AKOS006275714;DS-4563;NSC 142172;CS-0061392;FT-0725624;O11603;A878065

Chemical Property of 6-Methoxy-2-methylbenzoxazole

Chemical Property:

• Vapor Pressure: 0.0351mmHg at 25°C
• Melting Point: 51.5-53 °C(Solv: ligroine (8032-32-4))
• Refractive Index: 1.571
• Boiling Point: 250 °C at 760 mmHg
• PKA: 1.06±0.30(Predicted)
• Flash Point: 105 °C
• PSA: 35.26000
• Density: 1.166 g/cm³
• LogP: 2.14480
• Storage Temp.: 2-8°C
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 163.063328530
• Heavy Atom Count: 12
• Complexity: 163

Purity/Quality:

98% ^*data from raw suppliers

6-Methoxy-2-methylbenzo[D]oxazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC2=C(O1)C=C(C=C2)OC

Technology Process of 6-Methoxy-2-methylbenzoxazole

There total 10 articles about 6-Methoxy-2-methylbenzoxazole 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: 95.0%

2'-hydroxy-4'-methoxyacetophenone imine (1021267-09-3) → 6-methoxy-2-methyl-benzoxazole (23999-64-6)

Guidance literature:

With sodium hypochlorite; In water; isopropyl alcohol; at 0 - 10 ℃; Inert atmosphere;

DOI:10.1021/ol202844c

Reference yield: 90.0%

1-(2-hydroxy-4-methoxyphenyl)ethanone (552-41-0) → 6-methoxy-N-methylbenzo[d]oxazol-2-amine + 6-methoxy-2-methyl-benzoxazole (23999-64-6)

Guidance literature:

With trifluorormethanesulfonic acid; trimethylsilylazide; In dichloromethane; at 20 ℃;

DOI:10.1021/acs.joc.5b01305

Reference yield: 72.0%

1-(2-hydroxy-4-methoxyphenyl)ethanone (552-41-0) → 2-hydroxy-4-methoxyacetophenone oxime (51864-08-5) + 6-methoxy-2-methyl-benzoxazole (23999-64-6)

Guidance literature:

With acetylhydroxamic acid; sulfuric acid; In acetonitrile; at 80 ℃; for 0.2h; under 1292.9 Torr; Microwave irradiation;

DOI:10.1016/j.tetlet.2011.09.019

upstream raw materials:

2,4-dimethoxyacetophenone oxime

3-methoxy-6-nitro-phenol

N,N-diethylaniline

1-(2-hydroxy-4-methoxyphenyl)ethanone

Downstream raw materials:

N-(2-hydroxy-4-methoxyphenyl)acetamide

2-{(E)-2-[4-(3-Chloro-propoxy)-phenyl]-vinyl}-6-methoxy-benzooxazole

{4-[1-hydroxy-2-(6-methoxy-benzooxazol-2-yl)-ethyl]-phenyl}-methyl-carbamic acid tert-butyl ester

Dibutyl-(3-{4-[(E)-2-(6-methoxy-benzooxazol-2-yl)-vinyl]-phenoxy}-propyl)-amine

Refernces

• 1、 -. "A benzoxazole derivative synthesis method". Paragraph 0060; 0062; 0063. . Retrieved 2017/08/25.
• 2、 Nimnual, Phongprapan,Tummatorn, Jumreang,Thongsornkleeb, Charnsak,Ruchirawat, Somsak. "Utility of Nitrogen Extrusion of Azido Complexes for the Synthesis of Nitriles, Benzoxazoles, and Benzisoxazoles". . p. 8657 - 8667. Retrieved 2015/09/15.