5-(4-Bromophenyl)isoxazole-3-carboxylic acid

Base Information

Chemical Name:5-(4-Bromophenyl)isoxazole-3-carboxylic acid
CAS No.:33282-23-4
Molecular Formula:C10H6 Br N O3
Molecular Weight:268.067
Hs Code.:2934999090
European Community (EC) Number:624-422-5
DSSTox Substance ID:DTXSID80377929
Wikidata:Q82167324
ChEMBL ID:CHEMBL115406
Mol file:33282-23-4.mol

Synonyms:5-(4-Bromophenyl)isoxazole-3-carboxylic acid;33282-23-4;901930-35-6;5-(4-bromophenyl)-1,2-oxazole-3-carboxylic Acid;3-ISOXAZOLECARBOXYLIC ACID, 5-(4-BROMOPHENYL)-;MFCD06245167;CHEMBL115406;5-(4-Bromo-phenyl)-isoxazole-3-carboxylic acid;5-(4-Bromo-phenyl)-isoxazole-3-carboxylicacid;5-(4-Bromophenyl)isoxazole-3-carboxylic&;SCHEMBL3227675;DTXSID80377929;MLMNGXLPBJRYFI-UHFFFAOYSA-N;BLB93035;BDBM50133281;STL480857;AKOS002658299;AB23565;AS-31825;SY015155;CS-0058756;A875337;5-(4-Bromophenyl)isoxazole-3-carboxylic acid, 95%;J-019127

Suppliers and Price of 5-(4-Bromophenyl)isoxazole-3-carboxylic acid

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
5-(4-Bromophenyl)isoxazole-3-carboxylic acid
100mg
$ 60.00

SynQuest Laboratories
5-(4-Bromophenyl)isoxazole-3-carboxylic acid
1 g
$ 317.00

Sigma-Aldrich
5-(4-Bromophenyl)isoxazole-3-carboxylic acid 95%
5g
$ 436.00

Sigma-Aldrich
5-(4-Bromophenyl)isoxazole-3-carboxylic acid 95%
1g
$ 123.00

Crysdot
5-(4-Bromophenyl)isoxazole-3-carboxylic acid 95+%
10g
$ 476.00

Crysdot
5-(4-Bromophenyl)isoxazole-3-carboxylic acid 95+%
25g
$ 903.00

Chemenu
5-(4-Bromophenyl)isoxazole-3-carboxylic acid 95%
25g
$ 844.00

Chemenu
5-(4-Bromophenyl)isoxazole-3-carboxylic acid 95%
10g
$ 445.00

Biosynth Carbosynth
5-(4-Bromophenyl)isoxazole-3-carboxylic acid
500 mg
$ 60.00

Biosynth Carbosynth
5-(4-Bromophenyl)isoxazole-3-carboxylic acid
2 g
$ 288.40

Total 13 raw suppliers

Chemical Property of 5-(4-Bromophenyl)isoxazole-3-carboxylic acid

Chemical Property:

Vapor Pressure:5.95E-10mmHg at 25°C
Melting Point:200 °C (dec.)
Refractive Index:1.617
Boiling Point:478.2°C at 760 mmHg
PKA:3.24±0.10(Predicted)
Flash Point:243°C
PSA：63.33000
Density:1.681g/cm³
LogP:2.80230
Storage Temp.:2-8°C
XLogP3:2.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:266.95311
Heavy Atom Count:15
Complexity:241

Purity/Quality:

99%, ^*data from raw suppliers

5-(4-Bromophenyl)isoxazole-3-carboxylic acid ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:Xn
Statements: 22-36/37/38
Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Canonical SMILES:C1=CC(=CC=C1C2=CC(=NO2)C(=O)O)Br

Technology Process of 5-(4-Bromophenyl)isoxazole-3-carboxylic acid

There total 5 articles about 5-(4-Bromophenyl)isoxazole-3-carboxylic acid 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: 98.0%

: 33277-15-5
ethyl 5-(4-bromo-phenyl)-isoxazole-3-carboxylate

: 33282-23-4
5-(4-bromo-phenyl)-isoxazole-3-carboxylic acid

Guidance literature:: With sodium hydroxide; In ethanol; at 20 ℃;
DOI:10.1016/j.bmcl.2016.04.004

Reference yield:

: 99-90-1
para-bromoacetophenone

: 33282-23-4
5-(4-bromo-phenyl)-isoxazole-3-carboxylic acid

Guidance literature:: Multi-step reaction with 3 steps

1.1: sodium ethanolate / ethanol / 2 h / Reflux

1.2: 1 h

2.1: hydroxylamine hydrochloride / ethanol / 2 h / Reflux

3.1: sodium hydroxide / ethanol / 24 h / 20 °C

3.2: pH 2

With hydroxylamine hydrochloride; sodium ethanolate; sodium hydroxide; In ethanol; 1.1: Claisen condensation;
DOI:10.1016/j.bmc.2011.04.057

Reference yield:

: 40155-54-2
ethyl 4-(4-bromophenyl)-2,4-dioxobutanoate

: 33282-23-4
5-(4-bromo-phenyl)-isoxazole-3-carboxylic acid

Guidance literature:: Multi-step reaction with 2 steps

1: hydroxylamine hydrochloride; sodium methylate / ethanol / Reflux

2: potassium hydroxide / methanol / Reflux

With hydroxylamine hydrochloride; sodium methylate; potassium hydroxide; In methanol; ethanol;
DOI:10.2174/1570180813666161018124726