Cas no 147345-36-6 (Butanoic acid,4-bromo-4,4-difluoro-)
Butanoic acid,4-bromo-4,4-difluoro- Chemical and Physical Properties
Names and Identifiers
-
- Butanoic acid,4-bromo-4,4-difluoro-
- 4-bromo-4,4-difluorobutanoic acid
- 4-BROMO-4,4-DIFLUOROBUTYRIC ACID
- 4-Bromo-4,4-difluorobutyricacid97%
- 4-Bromo-4,4-difluorobutyric acid 97%
- 4-bromanyl-4,4-bis(fluoranyl)butanoic acid
- 4-BROMO-4,4-DIFLUOROBUTYRICACID
- 147345-36-6
- FT-0617838
- EN300-650564
- AKOS034834171
- A808638
- DTXSID40371246
- SCHEMBL7023611
- Butanoic acid, 4-bromo-4,4-difluoro-
-
- Inchi: 1S/C4H5BrF2O2/c5-4(6,7)2-1-3(8)9/h1-2H2,(H,8,9)
- InChI Key: YAIWEWFNTHJMTH-UHFFFAOYSA-N
- SMILES: BrC(CCC(=O)O)(F)F
Computed Properties
- Exact Mass: 201.94405
- Monoisotopic Mass: 201.944
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 9
- Rotatable Bond Count: 3
- Complexity: 115
- 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: 37.3A^2
- XLogP3: 1.6
Experimental Properties
- Density: 1.791
- Boiling Point: 90-92°C
- Flash Point: 85.2°C
- Refractive Index: 1.445
- PSA: 37.3
Butanoic acid,4-bromo-4,4-difluoro- Security Information
- Hazard Statement: Corrosive
- Hazard Category Code: 34
- Safety Instruction: 26-36/37/39
-
Hazardous Material Identification:
Butanoic acid,4-bromo-4,4-difluoro- Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| 1PlusChem | 1P001FA2-50mg |
Butanoic acid, 4-bromo-4,4-difluoro- |
147345-36-6 | 95% | 50mg |
$710.00 | 2024-06-20 | |
| 1PlusChem | 1P001FA2-100mg |
Butanoic acid, 4-bromo-4,4-difluoro- |
147345-36-6 | 95% | 100mg |
$908.00 | 2024-06-20 | |
| 1PlusChem | 1P001FA2-250mg |
Butanoic acid, 4-bromo-4,4-difluoro- |
147345-36-6 | 95% | 250mg |
$1270.00 | 2024-06-20 | |
| 1PlusChem | 1P001FA2-500mg |
Butanoic acid, 4-bromo-4,4-difluoro- |
147345-36-6 | 95% | 500mg |
$1965.00 | 2024-06-20 | |
| 1PlusChem | 1P001FA2-1g |
Butanoic acid, 4-bromo-4,4-difluoro- |
147345-36-6 | 95% | 1g |
$2498.00 | 2024-06-20 | |
| 1PlusChem | 1P001FA2-2.5g |
Butanoic acid, 4-bromo-4,4-difluoro- |
147345-36-6 | 95% | 2.5g |
$4839.00 | 2024-06-20 | |
| 1PlusChem | 1P001FA2-5g |
Butanoic acid, 4-bromo-4,4-difluoro- |
147345-36-6 | 95% | 5g |
$7131.00 | 2024-06-20 | |
| 1PlusChem | 1P001FA2-10g |
Butanoic acid, 4-bromo-4,4-difluoro- |
147345-36-6 | 95% | 10g |
$10544.00 | 2024-06-20 | |
| A2B Chem LLC | AA65658-10g |
Butanoic acid, 4-bromo-4,4-difluoro- |
147345-36-6 | 95% | 10g |
$8962.00 | 2024-04-20 | |
| A2B Chem LLC | AA65658-50mg |
Butanoic acid, 4-bromo-4,4-difluoro- |
147345-36-6 | 95% | 50mg |
$587.00 | 2024-04-20 |
Butanoic acid,4-bromo-4,4-difluoro- Related Literature
-
1. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
-
Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
-
Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
-
Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
Additional information on Butanoic acid,4-bromo-4,4-difluoro-
Butanoic acid,4-bromo-4,4-difluoro- (CAS No. 147345-36-6): A Comprehensive Overview
Butanoic acid,4-bromo-4,4-difluoro- (CAS No. 147345-36-6) is a fluorinated and brominated derivative of butanoic acid, exhibiting unique chemical properties that make it of significant interest in the field of organic synthesis and pharmaceutical research. This compound, characterized by its bromo and difluoro substituents, has garnered attention due to its potential applications in the development of novel agrochemicals and pharmaceutical agents.
The molecular structure of Butanoic acid,4-bromo-4,4-difluoro- consists of a four-carbon chain with a carboxylic acid group at one end and two fluorine atoms attached to the fourth carbon. The presence of the bromo atom introduces additional reactivity, making this compound a valuable intermediate in synthetic chemistry. Its fluorinated nature enhances its lipophilicity, which is a crucial factor in drug design for improving bioavailability and metabolic stability.
In recent years, the demand for fluorinated compounds in pharmaceuticals has surged due to their favorable pharmacokinetic properties. The bromo substituent in Butanoic acid,4-bromo-4,4-difluoro- allows for further functionalization via cross-coupling reactions, such as Suzuki or Buchwald-Hartwig couplings, enabling the synthesis of more complex molecules. These reactions are pivotal in constructing heterocyclic frameworks that are prevalent in many bioactive compounds.
One of the most compelling aspects of Butanoic acid,4-bromo-4,4-difluoro- is its role as a precursor in the synthesis of difluorinated amino acids, which are increasingly being explored for their potential as drug candidates. The introduction of fluorine atoms into amino acids can modulate their binding affinity to biological targets, leading to improved therapeutic efficacy. For instance, studies have shown that difluorinated analogs of naturally occurring amino acids can exhibit enhanced stability against enzymatic degradation, thereby prolonging their biological activity.
Moreover, the bromo group in this compound serves as an excellent handle for further derivatization. It can be readily exchanged with other functional groups using palladium-catalyzed reactions, allowing chemists to tailor the molecular structure according to specific requirements. This flexibility is particularly valuable in medicinal chemistry, where subtle modifications can significantly impact the pharmacological profile of a compound.
Recent research has also highlighted the utility of Butanoic acid,4-bromo-4,4-difluoro- in the development of novel agrochemicals. Fluorinated compounds are known for their enhanced pesticidal and herbicidal properties due to their increased resistance to metabolic degradation. The combination of bromo and difluoro substituents in this molecule imparts a high degree of lipophilicity and stability, making it an attractive candidate for designing next-generation crop protection agents.
The synthesis of Butanoic acid,4-bromo-4,4-difluoro- typically involves multi-step organic transformations starting from commercially available precursors. The introduction of the bromo atom is often achieved through electrophilic aromatic substitution or direct bromination reactions. Subsequent fluorination can be performed using reagents such as hydrogen fluoride-pyridine complexes or catalytic methods involving transition metals. These synthetic routes highlight the compound's accessibility and versatility for further chemical manipulation.
In conclusion,Butanoic acid,4-bromo-4,4-difluoro- (CAS No. 147345-36-6) represents a fascinating compound with broad applications in pharmaceutical and agrochemical research. Its unique structural features—namely the presence of both bromo and difluoro substituents—endow it with remarkable synthetic potential and functional diversity. As research continues to uncover new methodologies for fluorination and bromination chemistry,Butanoic acid,4-bromo-4,4-difluoro-* will undoubtedly remain at the forefront of molecular innovation.
147345-36-6 (Butanoic acid,4-bromo-4,4-difluoro-) Related Products
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
- 89640-58-4(2-Iodo-4-nitrophenylhydrazine)
- 1449132-38-0(3-Fluoro-5-(2-fluoro-5-methylbenzylcarbamoyl)benzeneboronic acid)
- 2034271-14-0(2-(1H-indol-3-yl)-N-{[6-(thiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}acetamide)