3-(Chloromethyl)-5-phenylisoxazole

Base Information

Chemical Name:3-(Chloromethyl)-5-phenylisoxazole
CAS No.:14731-10-3
Molecular Formula:C10H8 Cl N O
Molecular Weight:193.633
Hs Code.:2934999090
European Community (EC) Number:827-004-2
DSSTox Substance ID:DTXSID90363313
Wikidata:Q82146956
Mol file:14731-10-3.mol

Synonyms:3-(chloromethyl)-5-phenylisoxazole;14731-10-3;3-(chloromethyl)-5-phenyl-1,2-oxazole;Bionet2_000543;SCHEMBL1437486;3-Chloromethyl-5-phenylisoxazole;DTXSID90363313;HMS1365I15;5-phenyl-3-(chloromethyl)isoxazole;MFCD01444154;AKOS001107578;7N-651S;FT-0697709;EN300-14059;3-(chloromethyl)-5-phenylisoxazole, AldrichCPR;A884440;Z96092040;F2135-0547

Suppliers and Price of 3-(Chloromethyl)-5-phenylisoxazole

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

TRC
3-(chloromethyl)-5-phenylisoxazole
25mg
$ 45.00

SynQuest Laboratories
3-(Chloromethyl)-5-phenylisoxazole 97%
1 g
$ 128.00

Matrix Scientific
3-(Chloromethyl)-5-phenylisoxazole 95%+
1g
$ 182.00

Matrix Scientific
3-(Chloromethyl)-5-phenylisoxazole 95%+
2.500g
$ 393.00

Matrix Scientific
3-(Chloromethyl)-5-phenylisoxazole 95%+
5g
$ 594.00

Crysdot
3-(Chloromethyl)-5-phenylisoxazole 95+%
5g
$ 558.00

Chemenu
3-(Chloromethyl)-5-phenylisoxazole 95%
5g
$ 527.00

American Custom Chemicals Corporation
3-(CHLOROMETHYL)-5-PHENYLISOXAZOLE 95.00%
5G
$ 1114.58

American Custom Chemicals Corporation
3-(CHLOROMETHYL)-5-PHENYLISOXAZOLE 95.00%
2.5G
$ 932.60

American Custom Chemicals Corporation
3-(CHLOROMETHYL)-5-PHENYLISOXAZOLE 95.00%
1G
$ 692.46

Total 17 raw suppliers

Chemical Property of 3-(Chloromethyl)-5-phenylisoxazole

Chemical Property:

Vapor Pressure:0.000203mmHg at 25°C
Melting Point:48-49.5
Boiling Point:337.6°Cat760mmHg
PKA:-4.04±0.28(Predicted)
Flash Point:158°C
PSA：26.03000
Density:1.222g/cm³
LogP:3.08040
Storage Temp.:2-8°C
XLogP3:2.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:193.0294416
Heavy Atom Count:13
Complexity:159

Purity/Quality:

97% ^*data from raw suppliers

3-(chloromethyl)-5-phenylisoxazole ^*data from reagent suppliers

Safty Information:

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

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)C2=CC(=NO2)CCl

Technology Process of 3-(Chloromethyl)-5-phenylisoxazole

There total 12 articles about 3-(Chloromethyl)-5-phenylisoxazole 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: 88.0%

: 1619-37-0
(5-phenylisoxazol-3-yl)methanol

: 14731-10-3
3-(chloromethyl)-5-phenylisoxazole

Guidance literature:: With thionyl chloride; sodium chloride; In water; toluene;

Reference yield: 61.0%

: 1007401-94-6
(Z)-1,4-dichloro-4-phenylbut-3-en-2-one

: 14731-10-3
3-(chloromethyl)-5-phenylisoxazole

Guidance literature:: With potassium hydroxide; hydroxylamine hydrochloride; In methanol; water; at 20 ℃; for 12h;
DOI:10.1021/ol802260w

Reference yield:

: 7063-99-2
ethyl 5-phenylisoxazole-3-carboxylate

: 14731-10-3
3-(chloromethyl)-5-phenylisoxazole

Guidance literature:: Multi-step reaction with 2 steps

1: sodium tetrahydroborate / tetrahydrofuran; methanol / 0.5 h / Reflux

2: thionyl chloride; N,N-dimethyl-formamide / dichloromethane / 4 h / 40 °C

With sodium tetrahydroborate; thionyl chloride; N,N-dimethyl-formamide; In tetrahydrofuran; methanol; dichloromethane;
DOI:10.1016/j.ejmech.2016.02.040