Cas no 936829-27-5 (Tert-butyl 2-bromo-3-methylphenylcarbamate)
Tert-butyl 2-bromo-3-methylphenylcarbamate Chemical and Physical Properties
Names and Identifiers
-
- tert-butyl 2-bromo-3-methylphenylcarbamate
- N-Boc-2-bromo-3-methylaniline
- (2-Bromo-3-methylphenyl)carbamic acid tert-butyl ester
- N-Boc-2-bromo-3-methylphenylamine
- FGOFQNKFJKEIDE-UHFFFAOYSA-N
- (2-Bromo-3-methyl-phenyl)-carbamic acid tert-butyl ester
- N-Boc-2-bromo-3-methylaniline, 97%
- EN300-5077608
- tert-butyl N-(2-bromo-3-methylphenyl)carbamate
- 936829-27-5
- CS-0346540
- AKOS020285771
- SCHEMBL1006923
- DB-344160
- tert-Butyl (2-bromo-3-methylphenyl)carbamate
- Tert-butyl 2-bromo-3-methylphenylcarbamate
-
- MDL: MFCD22666460
- Inchi: 1S/C12H16BrNO2/c1-8-6-5-7-9(10(8)13)14-11(15)16-12(2,3)4/h5-7H,1-4H3,(H,14,15)
- InChI Key: FGOFQNKFJKEIDE-UHFFFAOYSA-N
- SMILES: BrC1C(C)=CC=CC=1NC(=O)OC(C)(C)C
Computed Properties
- Exact Mass: 285.03644g/mol
- Monoisotopic Mass: 285.03644g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 250
- 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: 38.3
- XLogP3: 3.5
Experimental Properties
- Melting Point: 58-63?°C
Tert-butyl 2-bromo-3-methylphenylcarbamate Security Information
-
Symbol:
- Signal Word:Warning
- Hazard Statement: H302-H315-H319-H335
- Warning Statement: P261-P305+P351+P338
- Hazardous Material transportation number:NONH for all modes of transport
- WGK Germany:3
- Hazard Category Code: 22-36/37/38
- Safety Instruction: 26
-
Hazardous Material Identification:
Tert-butyl 2-bromo-3-methylphenylcarbamate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| XI GE MA AO DE LI QI ( SHANG HAI ) MAO YI Co., Ltd. | 772720-1G |
N-Boc-2-bromo-3-methylaniline |
936829-27-5 | 97% | 1G |
¥614.98 | 2022-02-24 | |
| Enamine | EN300-5077608-0.05g |
tert-butyl N-(2-bromo-3-methylphenyl)carbamate |
936829-27-5 | 0.05g |
$323.0 | 2023-05-24 | ||
| Enamine | EN300-5077608-0.1g |
tert-butyl N-(2-bromo-3-methylphenyl)carbamate |
936829-27-5 | 0.1g |
$339.0 | 2023-05-24 | ||
| Enamine | EN300-5077608-0.25g |
tert-butyl N-(2-bromo-3-methylphenyl)carbamate |
936829-27-5 | 0.25g |
$354.0 | 2023-05-24 | ||
| Enamine | EN300-5077608-0.5g |
tert-butyl N-(2-bromo-3-methylphenyl)carbamate |
936829-27-5 | 0.5g |
$370.0 | 2023-05-24 | ||
| Enamine | EN300-5077608-1.0g |
tert-butyl N-(2-bromo-3-methylphenyl)carbamate |
936829-27-5 | 1g |
$385.0 | 2023-05-24 | ||
| Enamine | EN300-5077608-2.5g |
tert-butyl N-(2-bromo-3-methylphenyl)carbamate |
936829-27-5 | 2.5g |
$754.0 | 2023-05-24 | ||
| Enamine | EN300-5077608-5.0g |
tert-butyl N-(2-bromo-3-methylphenyl)carbamate |
936829-27-5 | 5g |
$1115.0 | 2023-05-24 | ||
| Enamine | EN300-5077608-10.0g |
tert-butyl N-(2-bromo-3-methylphenyl)carbamate |
936829-27-5 | 10g |
$1654.0 | 2023-05-24 | ||
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1417210-50mg |
Tert-butyl (2-bromo-3-methylphenyl)carbamate |
936829-27-5 | 98% | 50mg |
¥8715.00 | 2024-04-24 |
Tert-butyl 2-bromo-3-methylphenylcarbamate Related Literature
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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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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
Additional information on Tert-butyl 2-bromo-3-methylphenylcarbamate
Tert-butyl 2-bromo-3-methylphenylcarbamate (CAS No. 936829-27-5): A Key Intermediate in Modern Pharmaceutical Synthesis
Tert-butyl 2-bromo-3-methylphenylcarbamate, identified by its Chemical Abstracts Service (CAS) number 936829-27-5, is a specialized organic compound that has garnered significant attention in the field of pharmaceutical chemistry. This compound serves as a crucial intermediate in the synthesis of various biologically active molecules, particularly in the development of novel therapeutic agents. Its unique structural features, combining a brominated aromatic ring with a carbamate functional group, make it a versatile building block for medicinal chemists.
The< strong> tert-butyl moiety in the compound's name is a key structural element that contributes to its reactivity and stability. The tert-butyl group, being a bulky alkyl group, often enhances the lipophilicity of pharmaceutical compounds, which can be critical for drug absorption and distribution within the body. This characteristic makes Tert-butyl 2-bromo-3-methylphenylcarbamate an attractive candidate for further functionalization in drug design.
The< strong> 2-bromo-3-methylphenyl part of the molecule is another important feature that influences its chemical behavior. The bromine atom at the 2-position provides a site for electrophilic aromatic substitution reactions, allowing for further derivatization and diversification of the compound's structure. This flexibility is particularly valuable in medicinal chemistry, where subtle modifications can significantly alter the biological activity of a molecule.
Tert-butyl 2-bromo-3-methylphenylcarbamate has been widely used in the synthesis of various pharmacologically active compounds. One notable application is in the development of kinase inhibitors, which are essential in treating cancers and inflammatory diseases. The carbamate group can be readily modified to introduce specific pharmacophores that interact with target enzymes, leading to potent and selective inhibition.
Recent research has highlighted the utility of Tert-butyl 2-bromo-3-methylphenylcarbamate in the synthesis of small molecule inhibitors targeting protein-protein interactions. These interactions are often involved in critical cellular processes and are considered attractive drug targets due to their implications in various diseases. The brominated aromatic ring provides a handle for further chemical modifications, enabling the design of molecules with high affinity and selectivity for specific protein targets.
The compound has also been explored in the development of antiviral agents. The combination of a bromine atom and a carbamate group offers unique reactivity patterns that can be exploited to design molecules capable of disrupting viral replication cycles. For instance, derivatives of Tert-butyl 2-bromo-3-methylphenylcarbamate have shown promise in inhibiting viral proteases, which are essential enzymes for viral maturation and infection.
In addition to its applications in drug development, Tert-butyl 2-bromo-3-methylphenylcarbamate has been utilized in materials science and agrochemical research. Its structural features make it a valuable precursor for synthesizing advanced materials with specific properties, such as enhanced thermal stability or improved electronic characteristics. In agrochemistry, derivatives of this compound have been investigated for their potential as pesticides or herbicides, offering new solutions for crop protection.
The synthesis of< strong> Tert-butyl 2-bromo-3-methylphenylcarbamate typically involves multi-step organic reactions, starting from commercially available aromatic precursors. The process often includes bromination, carbamation, and subsequent functional group modifications to achieve the desired product. Advances in synthetic methodologies have improved the efficiency and scalability of these reactions, making< strong> Tert-butyl 2-bromo-3-methylphenylcarbamate more accessible for industrial applications.
The growing demand for< strong> Tert-butyl 2-bromo-3-methylphenylcarbamate underscores its importance as a pharmaceutical intermediate. As research continues to uncover new therapeutic targets and develop innovative drug candidates, this compound will likely remain a cornerstone in synthetic chemistry. Its versatility and reactivity make it an indispensable tool for medicinal chemists seeking to design novel molecules with improved efficacy and safety profiles.
In conclusion, Tert-butyl 2-bromo-3-methylphenylcarbamate (CAS No. 936829-27-5) is a multifaceted compound with significant applications across various fields of chemistry and biology. Its unique structural features enable its use as a key intermediate in pharmaceutical synthesis, particularly in the development of kinase inhibitors, protein-protein interaction modulators, and antiviral agents. As research progresses,< strong> Tert-butyl 2-bromo-3-methylphenylcarbamate will continue to play a vital role in advancing our understanding of biological processes and developing new therapeutic strategies.
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