Cas no 15930-59-3 (3-bromo-N,N-diethylbenzamide)
3-bromo-N,N-diethylbenzamide Chemical and Physical Properties
Names and Identifiers
-
- 3-bromo-N,N-diethylbenzamide
- 3-Brom-benzoesaeure-N.N-diethylamin;N,N-Diethyl-3-bromobenzamide;3-bromo-1-(N,N-diethylcarboxamide)-benzene;
- MFCD00586608
- CS-0131513
- DB-085755
- IRRXSHWDPARKJI-UHFFFAOYSA-N
- F87144
- SCHEMBL4300450
- DTXSID70391154
- BS-21597
- AKOS000194961
- Benzamide, 3-bromo-N,N-diethyl-
- 15930-59-3
- DTXCID20342015
-
- MDL： MFCD00586608
- Inchi： 1S/C11H14BrNO/c1-3-13(4-2)11(14)9-6-5-7-10(12)8-9/h5-8H,3-4H2,1-2H3
- InChI Key： IRRXSHWDPARKJI-UHFFFAOYSA-N
- SMILES： BrC1=CC=CC(=C1)C(N(CC)CC)=O
Computed Properties
- Exact Mass: 255.02600
- Monoisotopic Mass: 255.02588g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 192
- 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: 1.9
- Topological Polar Surface Area: 20.3?2
Experimental Properties
- Density: 1.3±0.1 g/cm3
- Boiling Point: 348.6±25.0 °C at 760 mmHg
- Flash Point: 164.6±23.2 °C
- PSA: 20.31000
- LogP: 2.93110
- Vapor Pressure: 0.0±0.8 mmHg at 25°C
3-bromo-N,N-diethylbenzamide Security Information
- Signal Word：warning
- Hazard Statement： H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
- Warning Statement： P264+P280+P305+P351+P338+P337+P313
- Safety Instruction： H303+H313+H333
- Storage Condition：storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)
3-bromo-N,N-diethylbenzamide Customs Data
- HS CODE：2924299090
- Customs Data：
China Customs Code:
2924299090Overview:
2924299090. Other cyclic amides(Including cyclic carbamates)(Including their derivatives as well as their salts). VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%
Declaration elements:
Product Name, component content, use to, packing
Summary:
2924299090. other cyclic amides (including cyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%
3-bromo-N,N-diethylbenzamide Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Chemenu | CM312391-10g |
3-Bromo-N,N-diethylbenzamide |
15930-59-3 | 95% | 10g |
$445 | 2021-06-16 | |
| TRC | B685813-100mg |
3-Bromo-N,N-diethylbenzamide |
15930-59-3 | 100mg |
$ 64.00 | 2023-04-18 | ||
| TRC | B685813-250mg |
3-Bromo-N,N-diethylbenzamide |
15930-59-3 | 250mg |
$ 98.00 | 2023-04-18 | ||
| TRC | B685813-500mg |
3-Bromo-N,N-diethylbenzamide |
15930-59-3 | 500mg |
$ 150.00 | 2023-04-18 | ||
| TRC | B685813-1g |
3-Bromo-N,N-diethylbenzamide |
15930-59-3 | 1g |
$ 207.00 | 2023-04-18 | ||
| NAN JING YAO SHI KE JI GU FEN Co., Ltd. | PBSC436-250mg |
3-bromo-N,N-diethylbenzamide |
15930-59-3 | 95% | 250mg |
￥237.0 | 2024-04-23 | |
| NAN JING YAO SHI KE JI GU FEN Co., Ltd. | PBSC436-1g |
3-bromo-N,N-diethylbenzamide |
15930-59-3 | 95% | 1g |
￥647.0 | 2024-04-23 | |
| NAN JING YAO SHI KE JI GU FEN Co., Ltd. | PBSC436-5g |
3-bromo-N,N-diethylbenzamide |
15930-59-3 | 95% | 5g |
￥2277.0 | 2024-04-23 | |
| Chemenu | CM312391-10g |
3-Bromo-N,N-diethylbenzamide |
15930-59-3 | 95% | 10g |
$445 | 2022-06-12 | |
| A2B Chem LLC | AA80956-250mg |
3-Bromo-N,N-diethylbenzamide |
15930-59-3 | 98% | 250mg |
$20.00 | 2024-04-20 |
3-bromo-N,N-diethylbenzamide Suppliers
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3-bromo-N,N-diethylbenzamide Related Literature
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
Additional information on 3-bromo-N,N-diethylbenzamide
3-Bromo-N,N-diethylbenzamide (CAS No. 15930-59-3): Properties, Applications, and Market Insights
3-Bromo-N,N-diethylbenzamide (CAS No. 15930-59-3) is a specialized organic compound widely used in pharmaceutical and agrochemical research. This brominated amide derivative has gained attention due to its unique structural properties, making it valuable for synthesizing bioactive molecules. With the increasing demand for halogenated benzamide compounds in drug discovery, this chemical plays a pivotal role in modern organic synthesis.
The molecular structure of 3-bromo-N,N-diethylbenzamide features a benzene ring substituted with a bromine atom at the meta-position and a diethylcarboxamide group. This configuration contributes to its moderate polarity and stability under standard conditions. Researchers often utilize this compound as a building block for heterocyclic synthesis, particularly in developing potential therapeutic agents targeting neurological disorders – a hot topic in current medicinal chemistry research.
In pharmaceutical applications, N,N-diethyl benzamide derivatives like 15930-59-3 have shown promise as intermediates for CNS-active compounds. Recent studies highlight their potential in developing novel GABA receptor modulators, addressing the growing need for neurological treatments. The bromine substitution at the 3-position enhances molecular interactions in biological systems, making it particularly interesting for structure-activity relationship (SAR) studies.
The agrochemical industry also benefits from 3-bromo benzamide compounds, where they serve as precursors for crop protection agents. With sustainable agriculture becoming a global priority, researchers are exploring how such brominated aromatic amides can contribute to next-generation, environmentally friendly pesticides. The compound's stability and reactivity profile make it suitable for developing targeted formulations with reduced ecological impact.
From a synthetic chemistry perspective, 3-bromo-N,N-diethylbenzamide offers several advantages. Its electron-withdrawing bromine substituent facilitates various coupling reactions, while the diethylamide group provides steric and electronic effects that influence reaction pathways. These characteristics align with current trends in green chemistry and atom-economical synthesis, as researchers seek more efficient methods to construct complex molecules.
Market analysis indicates growing demand for meta-brominated benzamide derivatives across research institutions and specialty chemical manufacturers. The compound's versatility in medicinal chemistry applications has driven its adoption in high-throughput screening programs. As pharmaceutical companies invest more in small molecule drug discovery, intermediates like CAS 15930-59-3 continue to gain importance in the fine chemicals supply chain.
Quality control for 3-bromo-N,N-diethylbenzamide typically involves HPLC analysis and spectroscopic verification (1H NMR, 13C NMR). Purity standards have become more stringent as applications in preclinical research expand. Current Good Manufacturing Practice (cGMP) compliant batches are increasingly available to meet the needs of regulated pharmaceutical development.
Environmental and safety considerations for handling 3-bromo benzamide compounds follow standard laboratory protocols. While not classified as hazardous under normal conditions, proper personal protective equipment (PPE) is recommended during manipulation. The compound's stability profile makes it suitable for standard storage conditions, contributing to its popularity as a research chemical.
Future research directions for 15930-59-3 include exploring its potential in catalyzed cross-coupling reactions and as a scaffold for proteolysis targeting chimeras (PROTACs) – a cutting-edge technology in drug discovery. The compound's structural features make it particularly interesting for developing targeted protein degraders, one of the most exciting areas in contemporary pharmaceutical research.
In conclusion, 3-bromo-N,N-diethylbenzamide (CAS No. 15930-59-3) represents an important tool for modern chemical research. Its applications span from traditional organic synthesis to innovative drug discovery approaches, reflecting the evolving needs of the pharmaceutical and agrochemical industries. As scientific understanding of brominated aromatic compounds deepens, this versatile intermediate will likely find even broader utility in developing next-generation bioactive molecules.
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