4-(Bromomethyl)-3-(2,6-dichlorophenyl)-5-methylisoxazole

Base Information

Chemical Name:4-(Bromomethyl)-3-(2,6-dichlorophenyl)-5-methylisoxazole
CAS No.:287176-81-2
Molecular Formula:C11H8BrCl2NO
Molecular Weight:321
Hs Code.:2934999090
DSSTox Substance ID:DTXSID20381843
Wikidata:Q82172958
Mol file:287176-81-2.mol

Synonyms:4-(bromomethyl)-3-(2,6-dichlorophenyl)-5-methylisoxazole;287176-81-2;4-(bromomethyl)-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole;SCHEMBL5511257;DTXSID20381843;DHHBTFDTRDVDID-UHFFFAOYSA-N;AKOS016008272;4-bromomethyl-3-(2,6-dichloro-phenyl)-5-methyl-isoxazole

Suppliers and Price of 4-(Bromomethyl)-3-(2,6-dichlorophenyl)-5-methylisoxazole

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

Matrix Scientific
4-(Bromomethyl)-3-(2,6-dichlorophenyl)-5-methylisoxazole 95+%
250mg
$ 515.00

Matrix Scientific
4-(Bromomethyl)-3-(2,6-dichlorophenyl)-5-methylisoxazole 95+%
1g
$ 1143.00

Crysdot
4-(Bromomethyl)-3-(2,6-dichlorophenyl)-5-methylisoxazole 95+%
1g
$ 772.00

AK Scientific
4-(Bromomethyl)-3-(2,6-dichlorophenyl)-5-methylisoxazole
1g
$ 1593.00

Total 2 raw suppliers

Chemical Property of 4-(Bromomethyl)-3-(2,6-dichlorophenyl)-5-methylisoxazole

Chemical Property:

Boiling Point:389.6±42.0 °C(Predicted)
PKA:-4.67±0.50(Predicted)
PSA：26.03000
Density:1.601±0.06 g/cm3(Predicted)
LogP:4.85170
Storage Temp.:2-8°C
XLogP3:4.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:318.91663
Heavy Atom Count:16
Complexity:234

Purity/Quality:: 4-(Bromomethyl)-3-(2,6-dichlorophenyl)-5-methylisoxazole 95+% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)CBr

Technology Process of 4-(Bromomethyl)-3-(2,6-dichlorophenyl)-5-methylisoxazole

There total 5 articles about 4-(Bromomethyl)-3-(2,6-dichlorophenyl)-5-methylisoxazole 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%

: 175204-38-3
[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]methanol

: 287176-81-2
4-(bromomethyl)-3-(2,6-dichlorophenyl)-5-methylisoxazole

Guidance literature:: With phosphorus tribromide; In diethyl ether; at 0 - 20 ℃; for 4h;
DOI:10.1002/cmdc.201500136

Reference yield:

: 83-38-5
2,6-dichlorobenzaldehyde

: 287176-81-2
4-(bromomethyl)-3-(2,6-dichlorophenyl)-5-methylisoxazole

Guidance literature:: Multi-step reaction with 5 steps

1: hydroxylamine hydrochloride; sodium hydroxide / ethanol; water / 24 h / 90 °C

2: N-chloro-succinimide / N,N-dimethyl-formamide / 2 h / 20 °C

3: sodium methylate / tetrahydrofuran; methanol / 16 h / 20 °C

4: diisobutylaluminium hydride / tetrahydrofuran; toluene / 10 h / 0 - 20 °C / Inert atmosphere

5: phosphorus tribromide / diethyl ether / 4 h / 0 - 20 °C

With N-chloro-succinimide; hydroxylamine hydrochloride; sodium methylate; phosphorus tribromide; diisobutylaluminium hydride; sodium hydroxide; In tetrahydrofuran; methanol; diethyl ether; ethanol; water; N,N-dimethyl-formamide; toluene;
DOI:10.1002/cmdc.201500136

Reference yield:

: 6575-28-6
(1E)-2,6-dichlorobenzaldehyde oxime

: 287176-81-2
4-(bromomethyl)-3-(2,6-dichlorophenyl)-5-methylisoxazole

Guidance literature:: Multi-step reaction with 4 steps

1: N-chloro-succinimide / N,N-dimethyl-formamide / 2 h / 20 °C

2: sodium methylate / tetrahydrofuran; methanol / 16 h / 20 °C

3: diisobutylaluminium hydride / tetrahydrofuran; toluene / 10 h / 0 - 20 °C / Inert atmosphere

4: phosphorus tribromide / diethyl ether / 4 h / 0 - 20 °C

With N-chloro-succinimide; sodium methylate; phosphorus tribromide; diisobutylaluminium hydride; In tetrahydrofuran; methanol; diethyl ether; N,N-dimethyl-formamide; toluene;
DOI:10.1002/cmdc.201500136