3-Bromomethylbenzisoxazole
-
3-Bromomethylbenzisoxazole
structure -
-
CAS No:
37924-85-9
-
Formula:
C8H6BrNO
-
Chemical Name:
3-Bromomethylbenzisoxazole
-
Synonyms:
1,2-Benzisoxazole,3-(bromomethyl)-;3-(Bromomethyl)-1,2-benzisoxazole;3-Bromomethylbenzisoxazole;3-Bromomethylbenzo[d]isoxazole
- Categories:
-
CAS No:
Characteristics
26
2.3
colourless crystalline solid
1.6±0.1 g/cm3
69 °C @ Solvent: Ethanol
302.5°C at 760 mmHg
136.8±20.9 °C
1.651
Safety Information
22-36
26
Xn
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
3-Bromomethylbenzisoxazole Use and Manufacturing
Benzo[d]isoxazol-3-yl-bromo-acetic acid [(J. Med. Chem. 5428 (2003), Chem. Pharm. Bull, 3498 (1978)] was slowly heated under argon with stirring to 130° C. and held there for 30 minutes. Copious gas evolution was observed during this time. The reaction was cooled to room temperature and the resulting brown crystals were filtered off and purified via column chromatography (hexanes), (2.3 g, 70percent yield). 3-Bromomethyl-benzo[d]isoxazole The pale yellow solid product 3-2 (6 g, 0.024 mol) obtained in the previous step was added to the reaction flask, and toluene(60 ml). The mixture was heated to reflux for 12 hours, and the reaction was complete by TLC.The reaction mixture was concentrated to dryness to give 3-bromomethyl-1, 2-benzisoxazole as a pale red solid (compound 3-3, compound of formula II (4.5g), which was used without purification The next step.
Computed Properties
Molecular Weight:212.04
XLogP3:2.3
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:210.96328
Monoisotopic Mass:210.96328
Topological Polar Surface Area:26
Heavy Atom Count:11
Complexity:142
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Recommended Suppliers of 3-Bromomethylbenzisoxazole
-
![China]()
CN
5 YRS
Business licensedTrader Supplier of Intermediates,Building blocks,API,Silicones,Peptides,Lab chemicals,Biochemicals,Pharmaceuticals,Screening Compounds,Food Additives -
![China]()
CN
2 YRS
Business licensed Certified factoryManufactory Supplier of 4-(Pentafluorothio)aniline,Pentafluoro,Pentafluorothio,Pentafluorosulfur,[4-(bromomethyl)phenyl]-pentafluoro-lambda6-sulfane,[4-(pentafluoro-sulfanyl)phenyl]acetic acidInquiryCAS No.: 37924-85-9Grade: Industrial GradeContent: 95%
Learn More Other Chemicals
-
(3S)-1,2,3,4-Tetrahydro-6,7-dimethoxy-3-isoquinolinecarboxylic acid
103733-66-0
-
2-Methoxy-5-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
1083168-84-6
-
2-iodo-2,3-dihydroinden-1-one
113021-30-0
-
2,2-DIMETHYL-N-[3-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-PYRIDIN-2-YL]-PROPIONAMIDE Formula
532391-30-3
-
6-Methylbenzoxazole Formula
10531-80-3
-
Methyl N-formylanthranilate Formula
41270-80-8
-
1-(4-amino-3,5-dichlorophenyl)-2-(dimethylamino)ethanol Structure
4812-69-5
-
2,5-Dihydroxy-N-(2-hydroxyethyl)benzamide Structure
61969-53-7
-
What is Benzenemethanol, α-(aminomethyl)-4-(1-methylethyl)-
91339-24-1
-
What is 5-Hydroxy-2-iodobenzaldehyde
50765-11-2