Cas no 445003-37-2 (TERT-BUTYL 4-BROMO-2-METHYLBENZOATE)
TERT-BUTYL 4-BROMO-2-METHYLBENZOATE Chemical and Physical Properties
Names and Identifiers
-
- TERT-BUTYL 4-BROMO-2-METHYLBENZOATE
- CS-0038319
- EN300-304791
- tert.butyl 4-bromo-2-methyl-benzoate
- DTXSID90700587
- MFCD08703427
- tert-butyl 4-bromo-2-methyl-benzoate
- AKOS013211239
- SY125721
- SCHEMBL277358
- A872524
- A1-07771
- tert.-butyl 4-bromo-2-methyl-benzoate
- W11660
- VSA00337
- AS-62339
- 445003-37-2
- 4-Bromo-2-methylbenzoic acid tert-butyl ester
- 4-bromo-2-methyl-benzoic acid tert-butyl ester
- DB-087156
- TERT-BUTYL4-BROMO-2-METHYLBENZOATE
- KKSOKTQAWHCIMG-UHFFFAOYSA-N
-
- MDL: MFCD08703427
- Inchi: 1S/C12H15BrO2/c1-8-7-9(13)5-6-10(8)11(14)15-12(2,3)4/h5-7H,1-4H3
- InChI Key: KKSOKTQAWHCIMG-UHFFFAOYSA-N
- SMILES: BrC1C=CC(=C(C)C=1)C(=O)OC(C)(C)C
Computed Properties
- Exact Mass: 270.02554g/mol
- Monoisotopic Mass: 270.02554g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 232
- 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
- XLogP3: 3.8
- Topological Polar Surface Area: 26.3?2
TERT-BUTYL 4-BROMO-2-METHYLBENZOATE Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A019093660-5g |
tert-Butyl 4-bromo-2-methylbenzoate |
445003-37-2 | 95% | 5g |
$434.66 | 2023-09-01 | |
| Chemenu | CM154849-5g |
tert-Butyl 4-bromo-2-methylbenzoate |
445003-37-2 | 95% | 5g |
$489 | 2021-06-17 | |
| TRC | B589355-50mg |
tert-Butyl 4-Bromo-2-methylbenzoate |
445003-37-2 | 50mg |
$ 50.00 | 2022-06-07 | ||
| TRC | B589355-100mg |
tert-Butyl 4-Bromo-2-methylbenzoate |
445003-37-2 | 100mg |
$ 70.00 | 2022-06-07 | ||
| TRC | B589355-500mg |
tert-Butyl 4-Bromo-2-methylbenzoate |
445003-37-2 | 500mg |
$ 230.00 | 2022-06-07 | ||
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-FW161-1g |
TERT-BUTYL 4-BROMO-2-METHYLBENZOATE |
445003-37-2 | 98% | 1g |
1074.0CNY | 2021-07-14 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-FW161-5g |
TERT-BUTYL 4-BROMO-2-METHYLBENZOATE |
445003-37-2 | 98% | 5g |
2865.0CNY | 2021-07-14 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-FW161-50mg |
TERT-BUTYL 4-BROMO-2-METHYLBENZOATE |
445003-37-2 | 98% | 50mg |
153.0CNY | 2021-07-14 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-FW161-200mg |
TERT-BUTYL 4-BROMO-2-METHYLBENZOATE |
445003-37-2 | 98% | 200mg |
357.0CNY | 2021-07-14 | |
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | T94650-250mg |
Tert-Butyl 4-bromo-2-methylbenzoate |
445003-37-2 | 98% | 250mg |
¥178.0 | 2024-07-18 |
TERT-BUTYL 4-BROMO-2-METHYLBENZOATE Related Literature
-
2. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
-
Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
-
Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
-
Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
Additional information on TERT-BUTYL 4-BROMO-2-METHYLBENZOATE
Comprehensive Overview of TERT-BUTYL 4-BROMO-2-METHYLBENZOATE (CAS No. 445003-37-2)
TERT-BUTYL 4-BROMO-2-METHYLBENZOATE (CAS No. 445003-37-2) is a specialized organic compound widely utilized in pharmaceutical intermediates, agrochemical synthesis, and advanced material research. Its molecular structure, featuring a tert-butyl ester group and a bromomethyl substitution, makes it a versatile building block for cross-coupling reactions and functional group transformations. Researchers and industries value this compound for its role in palladium-catalyzed reactions, such as Suzuki-Miyaura and Buchwald-Hartwig couplings, which are pivotal in drug discovery and material science.
In recent years, the demand for TERT-BUTYL 4-BROMO-2-METHYLBENZOATE has surged due to its applications in high-performance polymers and OLED materials, aligning with the global shift toward sustainable electronics. A trending topic in 2024 is the integration of brominated aromatic compounds like this into organic photovoltaics (OPVs), where they enhance light absorption and charge transport efficiency. Users frequently search for "how to synthesize TERT-BUTYL 4-BROMO-2-METHYLBENZOATE" or "alternative reagents for bromo-methyl benzoate derivatives," reflecting its technical relevance.
The compound’s stability under inert conditions and compatibility with Grignard reagents further expand its utility. For instance, it serves as a precursor for lithiation reactions, enabling the introduction of complex substituents. Environmental concerns have also driven interest in "green synthesis methods for bromoaromatics," with studies exploring catalytic bromination techniques to reduce waste. Analytical techniques like HPLC and NMR are critical for purity verification, a common query among quality control professionals.
From a commercial perspective, TERT-BUTYL 4-BROMO-2-METHYLBENZOATE is often compared to similar esters like methyl 4-bromo-2-methylbenzoate in terms of reactivity and cost-efficiency. Suppliers emphasize its low hygroscopicity and long shelf life, addressing storage-related searches. Regulatory compliance, particularly REACH and FDA guidelines for pharmaceutical use, is another hot topic, with users seeking "CAS 445003-37-2 safety data sheets."
Innovations in flow chemistry have recently optimized the production of this compound, reducing reaction times and improving yields—a focus area for process chemists. Additionally, its role in metal-organic frameworks (MOFs) has gained traction, linking to searches like "MOF linker synthesis." As industries prioritize scalable synthetic routes, TERT-BUTYL 4-BROMO-2-METHYLBENZOATE remains a key player in bridging academic research and industrial applications.
445003-37-2 (TERT-BUTYL 4-BROMO-2-METHYLBENZOATE) Related Products
- 64169-34-2(5-bromo-1,3-dihydro-2-benzofuran-1-one)
- 59247-47-1(tert-Butyl 4-bromobenzoate)
- 1178145-66-8(4-Bromo-2-(ethoxycarbonyl)benzoic acid)
- 422569-46-8(Tert-butyl 3,5-dibromobenzoate)
- 160952-57-8(tert-Butyl 3-bromo-4-methylbenzoate)
- 359629-91-7(5-Bromo-2-Methyl-Benzoic Acid Ethyl Ester)
- 38568-41-1(1,2-BENZENEDICARBOXYLIC ACID,4-BROMO-,1,2-DIETHYL ESTER)
- 368884-46-2(1,2-Benzenedicarboxylic acid, 4-bromo-, bis(2,2-dimethylpropyl) ester)
- 69038-74-0(Tert-butyl 3-bromobenzoate)
- 220389-34-4(Ethyl 4-bromo-2-methylbenzoate)