3-Bromo-isoxazole-5-carboxylic acid ethyl ester

• CAS: 105174-97-8
• Catalog Number: ACM105174978
• Category: Bromine Series
• Molecular Weight: 220.0223
• Molecular Formula: C6H6BrNO3
• Synonyms: 3-BROMO-ISOXAZOLE-5-CARBOXYLIC ACID ETHYL ESTER;ETHYL 3-BROMOISOXAZOLE-5-CARBOXYLATE
• IUPAC Name: ethyl 3-bromo-1,2-oxazole-5-carboxylate
• Canonical SMILES: CCOC(=O)C1=CC(=NO1)Br
• InChI Key: BLFWSORQDIUISI-UHFFFAOYSA-N
• Boiling Point: 279.134ºC at 760 mmHg
• Density: 1.617 g/cm³
• Exact Mass: 218.95300
• H-Bond Acceptor: 4
• H-Bond Donor: 0
• MDL Number: MFCD04035587
• Size: 1g,5g,25g

Synthetic Use

Upstream Synthesis Route 1

• 944709-38-0
• 623-47-2

• 105174-97-8
• 111303-36-7

Reference: [1] Patent: WO2005/26149, 2005, A1, . Location in patent: Page/Page column 105

Upstream Synthesis Route 2

• 74213-24-4
• 623-47-2

• 105174-97-8
• 111303-36-7

Reference: [1] Journal of Heterocyclic Chemistry, 1987, vol. 24, # 1, p. 43 - 46
[2] Org. Process Res. Dev., 2011, vol. 15, # 5, p. 1073 - 1080

Upstream Synthesis Route 3

• 74213-24-4
• 623-47-2

• 105174-97-8
• 111303-36-7

Reference: [1]Journal of Heterocyclic Chemistry,1987,vol. 24,p. 43 - 46
[2]Organic process research and development,2011,vol. 15,p. 1073 - 1080

Upstream Synthesis Route 4

• 944709-38-0
• 623-47-2

• 105174-97-8
• 111303-36-7

Reference: [1]Patent: WO2005/26149,2005,A1 .Location in patent: Page/Page column 105

Downstream Synthesis Route 1

• 105174-97-8

• 6567-35-7

Reference: [1] Patent: US4772719, 1988, A,

Downstream Synthesis Route 2

• 105174-97-8

• 6567-35-7

Reference: [1]Patent: US4772719,1988,A

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