2(3H)-Benzoxazolone, 6-(4-chlorobenzoyl)-3-methyl-

Base Information

Chemical Name:2(3H)-Benzoxazolone, 6-(4-chlorobenzoyl)-3-methyl-
CAS No.:123172-44-1
Molecular Formula:C15H10 Cl N O3
Molecular Weight:287.6978
Hs Code.:
DSSTox Substance ID:DTXSID50153878
Wikidata:Q83020907

Synonyms:BRN 5967292;2(3H)-Benzoxazolone, 6-(4-chlorobenzoyl)-3-methyl-;6-(4-Chlorobenzoyl)-3-methyl-2(3H)-benzoxazolone;123172-44-1;SCHEMBL14565048;DTXSID50153878;AKOS011558356;LS-42349

Suppliers and Price of 2(3H)-Benzoxazolone, 6-(4-chlorobenzoyl)-3-methyl-

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 0 raw suppliers

Chemical Property of 2(3H)-Benzoxazolone, 6-(4-chlorobenzoyl)-3-methyl-

Chemical Property:

Vapor Pressure:1.85E-08mmHg at 25°C
Boiling Point:454.8°Cat760mmHg
Flash Point:228.9°C
Density:1.388g/cm³
XLogP3:3.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:287.0349209
Heavy Atom Count:20
Complexity:406

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN1C2=C(C=C(C=C2)C(=O)C3=CC=C(C=C3)Cl)OC1=O

Technology Process of 2(3H)-Benzoxazolone, 6-(4-chlorobenzoyl)-3-methyl-

There total 4 articles about 2(3H)-Benzoxazolone, 6-(4-chlorobenzoyl)-3-methyl- 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: 80.0%

: 21892-80-8
3-methylbenzo[d]oxazol-2(3H)-one

: 74-11-3
para-chlorobenzoic acid

: 123172-44-1
6-(4-Chloro-benzoyl)-3-methyl-3H-benzooxazol-2-one

Guidance literature:: With PPA; at 120 ℃; for 4.5h;
DOI:10.1016/0223-5234(89)90164-5

Reference yield:

: 21892-80-8
3-methylbenzo[d]oxazol-2(3H)-one

: 122-01-0
4-chloro-benzoyl chloride

: 123172-44-1
6-(4-Chloro-benzoyl)-3-methyl-3H-benzooxazol-2-one

Guidance literature:: With aluminium trichloride; lithium perchlorate; In nitromethane; at 50 - 55 ℃; for 12h;
DOI:10.1007/s00706-002-0573-9

Reference yield:

: 108-90-7
chlorobenzene

: 123172-44-1
6-(4-Chloro-benzoyl)-3-methyl-3H-benzooxazol-2-one

Guidance literature:: Multi-step reaction with 2 steps

1: LiClO₄; AlCl₃ / nitromethane / 10 h / 20 °C

2: AlCl₃; LiClO₄ / nitromethane / 12 h / 50 - 55 °C

With aluminium trichloride; lithium perchlorate; In nitromethane; 2: Friedel-Crafts acylation;
DOI:10.1007/s00706-002-0573-9