2-(4-Bromo-phenyl)-benzooxazole

• CAS: 3164-13-4
• Catalog Number: ACM3164134
• Category: Other Products
• Molecular Weight: 274.1163
• Molecular Formula: C13H8BrNO
• IUPAC Name: 2-(4-bromophenyl)-1,3-benzoxazole
• SMILES: C1=CC=C2C(=C1)N=C(O2)C3=CC=C(C=C3)Br
• InChI: InChI=1S/C13H8BrNO/c14-10-7-5-9(6-8-10)13-15-11-3-1-2-4-12(11)16-13/h1-8H
• InChI Key: RBVHJNZMSBQFDK-UHFFFAOYSA-N
• Complexity: 240
• Covalently-Bonded Unit Count: 1
• Exact Mass: 272.97893g/mol
• Formal Charge: 0
• H-Bond Acceptor: 2
• H-Bond Donor: 0
• Heavy Atom Count: 16
• MDL Number: MFCD00168898
• Monoisotopic Mass: 272.97893g/mol
• Rotatable Bond Count: 1
• Size: 1g,5g,25g
• XLogP3: 4.1

Synthetic Use

Upstream Synthesis Route 1

• 1122-91-4
• 95-55-6

• 3164-13-4

Reference: [1]Journal of Heterocyclic Chemistry,2020

Upstream Synthesis Route 2

• 698-67-9
• 95-55-6

• 3164-13-4

Reference: [1]Justus Liebigs Annalen der Chemie,1919,vol. 419,p. 65

Downstream Synthesis Route 1

• 3164-13-4
• 73183-34-3

• 439090-73-0

Reference: [1] Patent: US2018/40829, 2018, A1, . Location in patent: Paragraph 0167; 0168; 0169

Downstream Synthesis Route 2

• 3164-13-4
• 73183-34-3
• 357437-74-2

• 439090-73-0

Reference: [1] Patent: US2011/62386, 2011, A1,

Downstream Synthesis Route 3

• 3164-13-4

• 833-50-1

Reference: [1]Journal of Organic Chemistry,1986,vol. 51,p. 672 - 677

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