6-Chloro-3-methyl-1,2-benzoxazole

Base Information

Chemical Name:6-Chloro-3-methyl-1,2-benzoxazole
CAS No.:66033-73-6
Molecular Formula:C₈H₆ClNO
Molecular Weight:167.595
Hs Code.:2934999090
DSSTox Substance ID:DTXSID60497018
Wikidata:Q82346313

Synonyms:66033-73-6;6-chloro-3-methyl-1,2-benzoxazole;6-Chloro-3-methylbenzo[d]isoxazole;1,2-Benzisoxazole, 6-chloro-3-methyl-;6-Chloro-3-methylbenzisoxazole;6-Chloro-3-methyl-1,2-benzisoxazole;SCHEMBL10222158;DTXSID60497018;AM1126;MFCD07778389;AKOS006286374;BS-29317;SY298821;CS-0454667;FT-0769553;D71901;A852422

Suppliers and Price of 6-Chloro-3-methyl-1,2-benzoxazole

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

Crysdot
6-Chloro-3-methylbenzo[d]isoxazole 97%
5g
$ 752.00

Chemcia Scientific
6-Chloro-3-methyl-benzo[d]isoxazole 95%
10 G
$ 1290.00

Apolloscientific
6-Chloro-3-methyl-1,2-benzoxazole 98%
1g
$ 275.00

American Custom Chemicals Corporation
6-CHLORO-3-METHYLBENZO[D]ISOXAZOLE 97.00%
50G
$ 3187.80

AK Scientific
6-Chloro-3-methyl-1,2-benzoxazole
1g
$ 344.00

Total 9 raw suppliers

Chemical Property of 6-Chloro-3-methyl-1,2-benzoxazole

Chemical Property:

Melting Point:72 °C(Solv: ethanol (64-17-5); water (7732-18-5))
Boiling Point:269.2±20.0 °C(Predicted)
PKA:-2.09±0.30(Predicted)
PSA：26.03000
Density:1.311±0.06 g/cm3(Predicted)
LogP:2.78960
XLogP3:2.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:0
Exact Mass:167.0137915
Heavy Atom Count:11
Complexity:153

Purity/Quality:

97% ^*data from raw suppliers

6-Chloro-3-methylbenzo[d]isoxazole 97% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=NOC2=C1C=CC(=C2)Cl

Technology Process of 6-Chloro-3-methyl-1,2-benzoxazole

There total 4 articles about 6-Chloro-3-methyl-1,2-benzoxazole 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:

: 56484-63-0
1-(4-chloro-2-hydroxy-phenyl)-ethanone oxime

: 66033-73-6
6-chloro-3-methylbenzisoxazole

Guidance literature:: With sodium acetate; acetic anhydride; In N,N-dimethyl-formamide; at 136 ℃; for 12h;
DOI:10.1002/jhet.4162

Reference yield:

: 6921-66-0
4-chloro-2-hydroxy acetophenone

: 66033-73-6
6-chloro-3-methylbenzisoxazole

Guidance literature:: Multi-step reaction with 2 steps

1: hydroxylamine hydrochloride; sodium acetate / methanol / 4 h / 70 °C

2: sodium acetate; acetic anhydride / N,N-dimethyl-formamide / 12 h / 136 °C

With hydroxylamine hydrochloride; sodium acetate; acetic anhydride; In methanol; N,N-dimethyl-formamide;
DOI:10.1002/jhet.4162

Reference yield:

: 108-43-0
3-monochlorophenol

: 66033-73-6
6-chloro-3-methylbenzisoxazole

Guidance literature:: Multi-step reaction with 3 steps

1.1: neat (no solvent) / 2 h / 0 - 20 °C

1.2: 255 / 2 h / 130 °C

2.1: hydroxylamine hydrochloride; sodium acetate / methanol / 4 h / 70 °C

3.1: sodium acetate; acetic anhydride / N,N-dimethyl-formamide / 12 h / 136 °C

With hydroxylamine hydrochloride; sodium acetate; acetic anhydride; In methanol; N,N-dimethyl-formamide;
DOI:10.1002/jhet.4162