Description
2-(4-Bromo-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl)acetic acid (CAS No. 1007572-07-7) is a high-purity, synthetic organic compound with the molecular formula C15H8BrClFNO3. This specialized chemical features a unique phenylacetic acid backbone substituted with bromo, chloro, cyano, and fluoro functional groups, making it a valuable intermediate for pharmaceutical and agrochemical research. Its IUPAC name is 2-[4-bromo-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]acetic acid. Suitable for use in cross-coupling reactions, medicinal chemistry, and as a building block for complex molecule synthesis. Available in research quantities with comprehensive analytical data (HPLC, NMR, MS) to ensure quality and consistency for your scientific applications.
Properties
- CAS Number: 1007572-07-7
- Complexity: 457
- IUPAC Name: 2-[4-bromo-3-(3-chloro-5-cyano-phenoxy)-2-fluoro-phenyl]acetic acid
- InChI: InChI=1S/C15H8BrClFNO3/c16-12-2-1-9(5-13(20)21)14(18)15(12)22-11-4-8(7-19)3-10(17)6-11/h1-4,6H,5H2,(H,20,21)
- InChI Key: VEPZSBUSOHVSRO-UHFFFAOYSA-N
- Exact Mass: 382.93601
- Molecular Formula: C15H8BrClFNO3
- Molecular Weight: 384.58
- SMILES: C1=CC(=C(C(=C1CC(=O)O)F)OC2=CC(=CC(=C2)C#N)Cl)Br
- Topological: 70.3
- Monoisotopic Mass: 382.93601
- Synonyms: 1007572-07-7, [4-bromo-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]acetic acid, 2-(4-Bromo-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl)acetic acid, 2-[4-Bromo-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]acetic Acid, (4-bromo-3- (3-chloro-5-cyanophenoxy) -2-fluorophenyl) acetic acid, SCHEMBL1344803, MFCD29035128, AKOS027253246, AS-46770, DB-167311, F10436, 2-(4-Bromo-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl)aceticacid, 4-Bromo-3-(3-chloro-5-cyanophenoxy)-2-fluorobenzeneacetic acid
Application
This compound serves as a versatile intermediate in the synthesis of biologically active molecules, particularly in pharmaceutical and agrochemical research. Its multi-functional structure allows for further derivatization via halogen-selective reactions or carboxylate coupling. Researchers utilize it in the development of novel enzyme inhibitors or receptor modulators due to its aromatic and electron-withdrawing substituents. The presence of both bromo and cyano groups makes it suitable for palladium-catalyzed cross-coupling reactions.
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