5-(Bromomethyl)-3-(4-methoxyphenyl)isoxazole

Base Information

Chemical Name:5-(Bromomethyl)-3-(4-methoxyphenyl)isoxazole
CAS No.:196877-76-6
Molecular Formula:C11H10BrNO2
Molecular Weight:268.11
Hs Code.:2934999090
DSSTox Substance ID:DTXSID10429384
Wikidata:Q82242405
Mol file:196877-76-6.mol

Synonyms:5-(bromomethyl)-3-(4-methoxyphenyl)isoxazole;196877-76-6;5-(bromomethyl)-3-(4-methoxyphenyl)-1,2-oxazole;SCHEMBL1566524;DTXSID10429384;MFCD06738487;AKOS000119232;AB27218;CS-0215381;FT-0726594;EN300-24227;A813877;J-516301;Z169917676;5-(Bromomethyl)-3-(4-methoxyphenyl)isoxazole, AldrichCPR

Suppliers and Price of 5-(Bromomethyl)-3-(4-methoxyphenyl)isoxazole

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

Sigma-Aldrich
5-(Bromomethyl)-3-(4-methoxyphenyl)isoxazole Aldrich
1g
$ 333.00

Heterocyclics
5-(Bromomethyl)-3-(4-methoxyphenyl)isoxazole 98%
1g
$ 250.00

Heterocyclics
5-(Bromomethyl)-3-(4-methoxyphenyl)isoxazole 98%
5g
$ 750.00

Crysdot
5-(Bromomethyl)-3-(4-methoxyphenyl)isoxazole 97%
1g
$ 680.00

American Custom Chemicals Corporation
5-(BROMOMETHYL)-3-(4-METHOXYPHENYL)ISOXAZOLE 95.00%
2.5G
$ 1363.65

American Custom Chemicals Corporation
5-(BROMOMETHYL)-3-(4-METHOXYPHENYL)ISOXAZOLE 95.00%
1G
$ 487.20

Total 6 raw suppliers

Chemical Property of 5-(Bromomethyl)-3-(4-methoxyphenyl)isoxazole

Chemical Property:

Melting Point:86-87 °C
Boiling Point:383.6±37.0 °C(Predicted)
PKA:-3.09±0.50(Predicted)
PSA：35.26000
Density:1.455±0.06 g/cm3(Predicted)
LogP:3.24510
XLogP3:2.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:266.98949
Heavy Atom Count:15
Complexity:195

Purity/Quality:

97% ^*data from raw suppliers

5-(Bromomethyl)-3-(4-methoxyphenyl)isoxazole Aldrich ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xn
Hazard Codes:Xn
Statements: 22

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC1=CC=C(C=C1)C2=NOC(=C2)CBr

Technology Process of 5-(Bromomethyl)-3-(4-methoxyphenyl)isoxazole

There total 10 articles about 5-(Bromomethyl)-3-(4-methoxyphenyl)isoxazole 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: 97.0%

: 206055-86-9
3-(4-methoxyphenyl)-5-(hydroxymethyl)isoxazole

: 196877-76-6
5-(bromomethyl)-3-(4-methoxyphenyl)isoxazole

Guidance literature:: With carbon tetrabromide; triphenylphosphine; In dichloromethane; for 1h; Cooling with ice;

Reference yield: 85.0%

: 3717-21-3,3717-22-4,140461-28-5,140461-29-6,3235-04-9
p-methoxyl benzaldoxime

: 106-96-7
propargyl bromide

: 38435-51-7
N-hydroxy-4-methoxy-benzenecarboximidoyl chloride

: 196877-76-6
5-(bromomethyl)-3-(4-methoxyphenyl)isoxazole

Guidance literature:: p-methoxyl benzaldoxime; With N-chloro-succinimide; In N,N-dimethyl-formamide; at 65 ℃; for 0.25h;

propargyl bromide; N-hydroxy-4-methoxy-benzenecarboximidoyl chloride; With potassium hydrogencarbonate; In water; at 20 ℃;
DOI:10.1007/s11696-021-02009-8