4-Bromo-3,5-dimethylisoxazole

• CAS: 10558-25-5
• Catalog Number: ACM10558255
• Category: Bromine Series
• Molecular Weight: 176.01
• Molecular Formula: C₅H₆NOBr

Custom Q&A

What is the molecular formula of 4-Bromo-3,5-dimethylisoxazole?

The molecular formula is C5H6BrNO.

What is the molecular weight of 4-Bromo-3,5-dimethylisoxazole?

The molecular weight is 176.01 g/mol.

What is the IUPAC name of 4-Bromo-3,5-dimethylisoxazole?

The IUPAC name is 4-bromo-3,5-dimethyl-1,2-oxazole.

What is the InChI of 4-Bromo-3,5-dimethylisoxazole?

The InChI is InChI=1S/C5H6BrNO/c1-3-5(6)4(2)8-7-3/h1-2H3.

What is the InChIKey of 4-Bromo-3,5-dimethylisoxazole?

The InChIKey is GYHZPSUAMYIFQD-UHFFFAOYSA-N.

What is the Canonical SMILES of 4-Bromo-3,5-dimethylisoxazole?

The Canonical SMILES is CC1=C(C(=NO1)C)Br.

What is the CAS number of 4-Bromo-3,5-dimethylisoxazole?

The CAS number is 10558-25-5.

What is the European Community (EC) number of 4-Bromo-3,5-dimethylisoxazole?

The EC number is 871-029-1.

What is the DSSTox Substance ID of 4-Bromo-3,5-dimethylisoxazole?

The DSSTox Substance ID is DTXSID90312447.

Is 4-Bromo-3,5-dimethylisoxazole canonicalized?

Yes, the compound is canonicalized.

Synthetic Use

Upstream Synthesis Route 1

• 300-87-8

• 10558-25-5

Reference: [1] Patent: WO2012/11125, 2012, A1, . Location in patent: Page/Page column 148; 149

Upstream Synthesis Route 2

• 300-87-8

• 10558-25-5

Reference: [1]Patent: WO2012/11125,2012,A1 .Location in patent: Page/Page column 148; 149

Downstream Synthesis Route 1

• 10558-25-5
• 5419-55-6

• 16114-47-9

Reference: [1] Patent: WO2012/11125, 2012, A1, . Location in patent: Page/Page column 148-149

Downstream Synthesis Route 2

• 10558-25-5
• 73183-34-3

• 832114-00-8

Reference: [1] Organic Letters, 2011, vol. 13, # 6, p. 1366 - 1369

Downstream Synthesis Route 3

• 10558-25-5
• 144104-59-6

• 144104-58-5

Reference: [1]Heterocycles,1992,vol. 34,p. 1395 - 1398

* For details of the synthesis route, please refer to the original source to ensure accuracy.