Cas no 22098-18-6 (5-Bromothiophene 2-Oxoacetic Acid)
5-Bromothiophene 2-Oxoacetic Acid is a versatile heterocyclic compound featuring a brominated thiophene ring conjugated with an oxoacetic acid functional group. This structure imparts unique reactivity, making it valuable in organic synthesis, particularly in the construction of complex thiophene-based derivatives. The bromine substituent enhances electrophilic substitution potential, enabling selective cross-coupling reactions (e.g., Suzuki or Stille couplings), while the oxoacetic acid moiety offers a handle for further derivatization via condensation or nucleophilic addition. Its high purity (>98%) and stability under inert conditions ensure reliable performance in pharmaceutical intermediates, agrochemicals, and materials science applications. The compound's dual functionality allows efficient integration into conjugated systems for optoelectronic materials or bioactive molecule scaffolds.
22098-18-6 structure
Product Name:5-Bromothiophene 2-Oxoacetic Acid
CAS No:22098-18-6
MF:C6H3BrO3S
MW:235.055219888687
MDL:MFCD12786265
CID:2084955
PubChem ID:14452586
Update Time:2025-07-02
5-Bromothiophene 2-Oxoacetic Acid Chemical and Physical Properties
Names and Identifiers
-
- 5-Bromothiophene 2-Oxoacetic Acid
- 2-(5-bromothiophen-2-yl)-2-oxoacetic acid
- 2-(5-bromothien-2-yl)glyoxylic acid
- YLMOPFHUYOWWOX-UHFFFAOYSA-N
- 5-bromothiophen-2-yl glyoxylic acid
- 2-(5-bromothien-2-yl)glyoxalic acid
- (5-Bromothiophen-2-yl)-oxo-acetic acid
- (5-bromo-thiophen-2-yl)-oxo-acetic acid
- 2-Thiopheneacetic acid, 5-bromo-I+/--oxo-
-
- MDL： MFCD12786265
- Inchi： 1S/C6H3BrO3S/c7-4-2-1-3(11-4)5(8)6(9)10/h1-2H,(H,9,10)
- InChI Key： YLMOPFHUYOWWOX-UHFFFAOYSA-N
- SMILES： BrC1=CC=C(C(C(=O)O)=O)S1
Computed Properties
- Exact Mass: 233.89863g/mol
- Monoisotopic Mass: 233.89863g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 194
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 82.6
- XLogP3: 2.4
5-Bromothiophene 2-Oxoacetic Acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | B688230-500mg |
5-Bromothiophene 2-Oxoacetic Acid |
22098-18-6 | 500mg |
$ 184.00 | 2023-04-18 | ||
| TRC | B688230-5g |
5-Bromothiophene 2-Oxoacetic Acid |
22098-18-6 | 5g |
$ 1200.00 | 2023-09-08 | ||
| Chemenu | CM424874-250mg |
2-(5-bromothiophen-2-yl)-2-oxoacetic acid |
22098-18-6 | 95%+ | 250mg |
$140 | 2023-02-02 | |
| TRC | B688230-5000mg |
5-Bromothiophene 2-Oxoacetic Acid |
22098-18-6 | 5g |
$ 1470.00 | 2023-04-18 | ||
| Enamine | EN300-247635-0.05g |
2-(5-bromothiophen-2-yl)-2-oxoacetic acid |
22098-18-6 | 95% | 0.05g |
$42.0 | 2024-06-19 | |
| Enamine | EN300-247635-0.1g |
2-(5-bromothiophen-2-yl)-2-oxoacetic acid |
22098-18-6 | 95% | 0.1g |
$66.0 | 2024-06-19 | |
| Enamine | EN300-247635-0.25g |
2-(5-bromothiophen-2-yl)-2-oxoacetic acid |
22098-18-6 | 95% | 0.25g |
$92.0 | 2024-06-19 | |
| Enamine | EN300-247635-0.5g |
2-(5-bromothiophen-2-yl)-2-oxoacetic acid |
22098-18-6 | 95% | 0.5g |
$175.0 | 2024-06-19 | |
| Enamine | EN300-247635-1.0g |
2-(5-bromothiophen-2-yl)-2-oxoacetic acid |
22098-18-6 | 95% | 1.0g |
$256.0 | 2024-06-19 | |
| Enamine | EN300-247635-2.5g |
2-(5-bromothiophen-2-yl)-2-oxoacetic acid |
22098-18-6 | 95% | 2.5g |
$503.0 | 2024-06-19 |
5-Bromothiophene 2-Oxoacetic Acid Related Literature
-
Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
-
Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
-
Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
-
Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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