Cas no 50364-40-4 (2-bromo-3,3-dimethylbutanoic Acid)
2-Bromo-3,3-dimethylbutanoic acid is a brominated carboxylic acid featuring a highly branched alkyl chain, which imparts steric hindrance and influences its reactivity in synthetic applications. The presence of both bromine and carboxylic acid functional groups makes it a versatile intermediate in organic synthesis, particularly for nucleophilic substitution reactions or as a precursor for further derivatization. Its structural rigidity, due to the quaternary carbon center, enhances selectivity in certain transformations. This compound is commonly employed in pharmaceutical and agrochemical research, where precise molecular modifications are required. High purity grades ensure consistent performance in demanding synthetic protocols.
50364-40-4 structure
Product Name:2-bromo-3,3-dimethylbutanoic Acid
CAS No:50364-40-4
MF:C6H11BrO2
MW:195.054341554642
MDL:MFCD20542557
CID:385428
PubChem ID:184251
Update Time:2025-10-15
2-bromo-3,3-dimethylbutanoic Acid Chemical and Physical Properties
Names and Identifiers
-
- Butanoic acid, 2-bromo-3,3-dimethyl-
- 2-bromo-3,3-dimethylbutanoic acid
- (4-(bromomethyl)phenyl)(trifluoromethyl)sulfane
- 1-bromomethyl-4-trifluoromethylsulfanyl-benzene
- 2-bromo-2-tert-butyl acetic acid
- 2-bromo-3,3-dimethyl-butyric acid
- 4-(trifluoromethylthio)benzyl bromide
- 4-(trifluoromethylthio)phenylmethyl bromide
- AC1MCS1Q
- acide bromo-2 dimethyl-3,3 butanoique
- SBB062024
- SureCN697792
- tert-butyl bromoacetic acid
- NSC-227913
- (R)-2-Bromo-3,3-dimethylbutanoic Acid
- 50364-40-4
- tert-butyl bromo acetic acid
- MFCD20542557
- FT-0763462
- MJLVLHNXEOQASX-UHFFFAOYSA-N
- alpha-bromo-tert-butylacetic acid
- EN300-25747
- 2-bromo-3,3-dimethylbutanoicacid
- SCHEMBL45523
- SY298762
- AKOS017342942
- NSC227913
- DTXSID901346741
- FT-0774137
- 2-bromo-3,3-dimethylbutanoic Acid
-
- MDL： MFCD20542557
- Inchi： 1S/C6H11BrO2/c1-6(2,3)4(7)5(8)9/h4H,1-3H3,(H,8,9)
- InChI Key： MJLVLHNXEOQASX-UHFFFAOYSA-N
- SMILES： BrC(C(=O)O)C(C)(C)C
Computed Properties
- Exact Mass: 193.99423
- Monoisotopic Mass: 193.99424g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 9
- Rotatable Bond Count: 2
- Complexity: 115
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.3
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 37.3
- LogP: 1.88060
2-bromo-3,3-dimethylbutanoic Acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | B446670-10mg |
2-bromo-3,3-dimethylbutanoic Acid |
50364-40-4 | 10mg |
45.00 | 2021-08-17 | ||
| TRC | B446670-50mg |
2-bromo-3,3-dimethylbutanoic Acid |
50364-40-4 | 50mg |
175.00 | 2021-08-17 | ||
| TRC | B446670-100mg |
2-Bromo-3,3-dimethylbutanoic Acid |
50364-40-4 | 100mg |
$ 155.00 | 2023-04-18 | ||
| TRC | B446670-500mg |
2-Bromo-3,3-dimethylbutanoic Acid |
50364-40-4 | 500mg |
$ 689.00 | 2023-04-18 | ||
| TRC | B446670-1g |
2-Bromo-3,3-dimethylbutanoic Acid |
50364-40-4 | 1g |
$ 800.00 | 2023-09-08 | ||
| Enamine | EN300-25747-0.05g |
2-bromo-3,3-dimethylbutanoic acid |
50364-40-4 | 95% | 0.05g |
$162.0 | 2024-06-18 | |
| Enamine | EN300-25747-0.1g |
2-bromo-3,3-dimethylbutanoic acid |
50364-40-4 | 95% | 0.1g |
$241.0 | 2024-06-18 | |
| Enamine | EN300-25747-0.25g |
2-bromo-3,3-dimethylbutanoic acid |
50364-40-4 | 95% | 0.25g |
$347.0 | 2024-06-18 | |
| Enamine | EN300-25747-0.5g |
2-bromo-3,3-dimethylbutanoic acid |
50364-40-4 | 95% | 0.5g |
$546.0 | 2024-06-18 | |
| Enamine | EN300-25747-1.0g |
2-bromo-3,3-dimethylbutanoic acid |
50364-40-4 | 95% | 1.0g |
$699.0 | 2024-06-18 |
2-bromo-3,3-dimethylbutanoic Acid Related Literature
-
Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
-
Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
-
Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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