2,5-Dimethylbenzoxazole

Base Information

• Chemical Name: 2,5-Dimethylbenzoxazole
• CAS No.: 5676-58-4
• Molecular Formula: C9H9NO
• Molecular Weight: 147.177
• Hs Code.: 29349990
• European Community (EC) Number: 227-136-5
• NSC Number: 93785
• UNII: 518Y7AS4WL
• DSSTox Substance ID: DTXSID7063974
• Nikkaji Number: J41.883H
• Wikidata: Q72469451
• Mol file: 5676-58-4.mol

Synonyms:2,5-Dimethylbenzoxazole;5676-58-4;2,5-Dimethylbenzo[d]oxazole;BENZOXAZOLE, 2,5-DIMETHYL-;2,5-Dimethyl-1,3-benzoxazole;2,5-Dimethyl Benzoxazole;EINECS 227-136-5;MFCD00005773;NSC 93785;518Y7AS4WL;NSC-93785;2,5-dimethyl-benzoxazole;NSC93785;Benzoxazole,5-dimethyl-;UNII-518Y7AS4WL;SCHEMBL903255;DTXSID7063974;2,5-Dimethyl-1,3-benzoxazole #;AKOS015900611;AC-4804;CS-W018210;DS-18248;LS-42182;SY018752;D3461;FT-0635802;F14942;A831166;W-105503;2,5-dimethyl-1,3-benzoxazole

Chemical Property of 2,5-Dimethylbenzoxazole

Chemical Property:

• Appearance/Colour: clear yellow to brown liquid
• Vapor Pressure: 0.185mmHg at 25°C
• Melting Point: 218-220 °C
• Refractive Index: n20/D 1.542(lit.)
• Boiling Point: 218.5 °C at 760 mmHg
• PKA: 3.07±0.10(Predicted)
• Flash Point: 91.1 °C
• PSA: 26.03000
• Density: 1.113 g/cm³
• LogP: 2.44460
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 147.068413911
• Heavy Atom Count: 11
• Complexity: 149

Purity/Quality:

99% ^*data from raw suppliers

2,5-Dimethylbenzoxazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 36/37/38-37/38-36-20/21/22
• Safety Statements: 23-24/25-37/39-26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=C(C=C1)OC(=N2)C

Technology Process of 2,5-Dimethylbenzoxazole

There total 30 articles about 2,5-Dimethylbenzoxazole 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: 98.0%

Triethyl orthoacetate (78-39-7) + 3-amino-4-hydroxytoluene (95-84-1) → 2,5-dimethyl-1,3-benzoxazole (5676-58-4)

Guidance literature:

With 1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione; at 20 ℃; for 0.133333h;

DOI:10.1007/s00706-010-0412-3

Reference yield: 96.0%

2-acetylamino-p-cresol (6375-17-3) → 2,5-dimethyl-1,3-benzoxazole (5676-58-4)

Guidance literature:

2-acetylamino-p-cresol; With trichlorophosphate; In chloroform; Reflux;

With sodium hydroxide; water; In chloroform; pH=8; Cooling with ice;

DOI:10.1021/jo900267c

Reference yield: 95.0%

Trimethyl orthoacetate (1445-45-0) + 3-amino-4-hydroxytoluene (95-84-1) → 2,5-dimethyl-1,3-benzoxazole (5676-58-4)

Guidance literature:

With 1-(propyl-3-sulfonate) 3-methylimidazol(3H)-1-ium phosphotungstate; In water; at 20 ℃; for 0.25h; Reagent/catalyst; Time;

DOI:10.2174/1386207311316080004

upstream raw materials:

1-(2-hydroxy-5-methylphenyl)ethan-1-one oxime

(E)-3-Ureido-but-2-enoic acid ethyl ester

sodium acetate

2-amino-4-methylphenol hydrochloride

Downstream raw materials:

2-Amino-4-methyl-5-nitro-phenol

2-acetylamino-p-cresol

2,5-dimethyl-3-octadecyl-benzooxazolium; 4-chloro-benzenesulfonate

5-methyl-2-[4-(4-phenyl-[1,2,3]triazol-2-yl)-styryl]-benzooxazole