5-(bromomethyl)-3-(2-chlorophenyl)Isoxazole

Base Information

Chemical Name:5-(bromomethyl)-3-(2-chlorophenyl)Isoxazole
CAS No.:196877-21-1
Molecular Formula:C10H7 Br Cl N O
Molecular Weight:272.529
Hs Code.:
DSSTox Substance ID:DTXSID00697959
Wikidata:Q82628000
Mol file:196877-21-1.mol

Synonyms:196877-21-1;5-(bromomethyl)-3-(2-chlorophenyl)Isoxazole;5-BROMOMETHYL-3-(2-CHLORO-PHENYL)-ISOXAZOLE;5-(BROMOMETHYL)-3-(2-CHLOROPHENYL)-1,2-OXAZOLE;DTXSID00697959;MFCD06738509;AKOS009159528;AB27270;FT-0764735

Suppliers and Price of 5-(bromomethyl)-3-(2-chlorophenyl)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

Crysdot
5-(Bromomethyl)-3-(2-chlorophenyl)isoxazole 97%
1g
$ 950.00

Crysdot
5-(Bromomethyl)-3-(2-chlorophenyl)isoxazole 97%
250mg
$ 380.00

Total 2 raw suppliers

Chemical Property of 5-(bromomethyl)-3-(2-chlorophenyl)Isoxazole

Chemical Property:

PSA：26.03000
LogP:3.88990
XLogP3:3.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:270.93995
Heavy Atom Count:14
Complexity:193

Purity/Quality:

98%min ^*data from raw suppliers

5-(Bromomethyl)-3-(2-chlorophenyl)isoxazole 97% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of 5-(bromomethyl)-3-(2-chlorophenyl)Isoxazole

There total 4 articles about 5-(bromomethyl)-3-(2-chlorophenyl)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: 84.3%

: 3717-28-0
2-chloro benzaldehyde oxime

: 106-96-7
propargyl bromide

: 196877-21-1
C₁₀H₇BrClNO

Guidance literature:: With sodium hypochlorite; triethylamine; In dichloromethane; water; at 0 - 20 ℃;
DOI:10.1021/jf902541w

Reference yield: 77.0%

: 3717-28-0
2-chloro benzaldehyde oxime

: 106-96-7
propargyl bromide

: 29568-74-9
2-chloro-N-hydroxybenzimidoyl chloride

: 196877-21-1
C₁₀H₇BrClNO

Guidance literature:: 2-chloro benzaldehyde oxime; With N-chloro-succinimide; In N,N-dimethyl-formamide; at 65 ℃; for 0.25h;

propargyl bromide; 2-chloro-N-hydroxybenzimidoyl chloride; With potassium hydrogencarbonate; In water; at 20 ℃;
DOI:10.1007/s11696-021-02009-8

Reference yield:

: 89-98-5
2-chloro-benzaldehyde

: 196877-21-1
C₁₀H₇BrClNO

Guidance literature:: Multi-step reaction with 2 steps

1: hydroxylamine hydrochloride

2: sodium hypochlorite; triethylamine / dichloromethane; water / 0 - 20 °C

With sodium hypochlorite; hydroxylamine hydrochloride; triethylamine; In dichloromethane; water;
DOI:10.1021/jf902541w