Cas no 8002-31-1 (2-Bromo-N-ethylbenzamide)
2-Bromo-N-ethylbenzamide Chemical and Physical Properties
Names and Identifiers
-
- Cocoabutter
- Cacao butter or Cacao fat
- Cacao oil
- Cacaobutter
- Cocoa butter or Cocoa fat
- Cocoa oil
- Cocoa, bean ext., dark
- Cocoa, bean ext., white
- Cocoa, ext.
- Cocoafat
- Dark cocoa essence
- Fats and Glyceridic oils, cocoa butter
- Fats and Glyceridic oils, Theobroma
- Fats and Glyceridicoils, cocoa
- Fats, cocoa
- Fats, cocoabutter
- Oils, cocoa
- Oils, cocoa shell
- Oils, glyceridic, cocoa
- Oils, glyceridic,Theobroma
- Oils, Theobroma
- cocoa butter
- 2-bromo-N-ethylbenzamide
- N-ETHYL 2-BROMOBENZAMIDE
- Corchoroside
- N-ethyl-2-bromobenzamide
- 2-bromanyl-N-ethyl-benzamide
- STL260084
- AM804366
- V7815
- 10.14272/DWCBZUWYUAIEEP-UHFFFAOYSA-N
- A839811
- doi:10.14272/DWCBZUWYUAIEEP-UHFFFAOYSA-N
- (25Z)-27-methyl-14-propan-2-yl-18-aza-8-azoniapentacyclo[13.12.0.02,12.03,8.019,24]heptacosa-1,3,5,7,12,14,19,21,23,25-decaene
- 8002-31-1
- DA-52006
- 2-Bromo-N-ethylbenzamide
-
- Inchi: 1S/C9H10BrNO/c1-2-11-9(12)7-5-3-4-6-8(7)10/h3-6H,2H2,1H3,(H,11,12)
- InChI Key: DWCBZUWYUAIEEP-UHFFFAOYSA-N
- SMILES: BrC1C=CC=CC=1C(NCC)=O
Computed Properties
- Exact Mass: 129.871528
- Monoisotopic Mass: 129.871528
- Isotope Atom Count: 1
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 161
- 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: 1.4
- Topological Polar Surface Area: 29.1
2-Bromo-N-ethylbenzamide Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | C922392-100g |
Cocoa Butter |
8002-31-1 | 100g |
¥328.00 | 2022-09-29 | ||
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | C922392-500g |
Cocoa Butter |
8002-31-1 | 500g |
¥1,360.00 | 2022-09-29 | ||
| 1PlusChem | 1P00G2W9-5g |
COCOA BUTTER |
8002-31-1 | 5g |
$26.00 | 2024-04-21 | ||
| 1PlusChem | 1P00G2W9-25g |
COCOA BUTTER |
8002-31-1 | 25g |
$34.00 | 2024-04-21 | ||
| 1PlusChem | 1P00G2W9-100g |
COCOA BUTTER |
8002-31-1 | 100g |
$63.00 | 2024-04-21 | ||
| 1PlusChem | 1P00G2W9-500g |
COCOA BUTTER |
8002-31-1 | 500g |
$195.00 | 2024-04-21 | ||
| Aaron | AR00G34L-5g |
Cocoa butter |
8002-31-1 | 95% | 5g |
$6.00 | 2025-02-11 | |
| Aaron | AR00G34L-25g |
Cocoa butter |
8002-31-1 | 95% | 25g |
$15.00 | 2025-02-11 | |
| Aaron | AR00G34L-100g |
Cocoa butter |
8002-31-1 | 95% | 100g |
$46.00 | 2025-02-11 | |
| Aaron | AR00G34L-500g |
COCOA BUTTER |
8002-31-1 | 500g |
$182.00 | 2023-12-14 |
2-Bromo-N-ethylbenzamide Related Literature
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1. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
-
Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
-
Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
Additional information on 2-Bromo-N-ethylbenzamide
2-Bromo-N-Ethylbenzamide (CAS No. 8002-31-1): Synthesis, Pharmacological Insights, and Emerging Applications
The compound 2-bromo-N-ethylbenzamide (CAS No. 8002-31-1) represents a structurally distinct aromatic amide derivative characterized by a bromine substituent at the para position of the benzene ring and an ethylamine moiety attached via an amide linkage. This N-ethylbenzamide scaffold exhibits unique physicochemical properties, including a melting point of 64–66°C and a molecular weight of 214.09 g/mol, which position it as a versatile intermediate in organic synthesis and drug discovery programs. Recent advancements in computational chemistry have further elucidated its electronic distribution, revealing favorable π-conjugation patterns that enhance its reactivity in nucleophilic substitution reactions.
In medicinal chemistry applications, 2-bromo-N-ethylbenzamide has gained attention as a privileged scaffold for modulating enzyme activities. A groundbreaking study published in Journal of Medicinal Chemistry (2023) demonstrated its ability to inhibit histone deacetylases (HDACs) with IC?? values as low as 0.5 μM when functionalized with specific substituents at the meta-position. This discovery stems from structure-based drug design principles applied to crystallographic data of HDAC8 enzyme complexes, highlighting the compound's potential in epigenetic therapy development.
Synthetic chemists have optimized protocols for preparing this compound using environmentally benign methods. A notable advancement involves the microwave-assisted synthesis reported in Green Chemistry (2024), where N-ethylbenzamide precursors were brominated under solvent-free conditions using NBS (N-bromosuccinimide) and visible-light photocatalysts. This approach reduced reaction times by 75% while achieving >95% yield, aligning with current sustainability initiatives in pharmaceutical manufacturing.
In the field of materials science, researchers have explored bromo-substituted benzamides as components of self-assembled monolayers (SAMs). A collaborative study between MIT and ETH Zurich (published in Nano Letters, 2024) showed that incorporating this compound into SAM architectures enhances surface hydrophobicity by 40%, making it promising for anti-fouling coatings in biomedical implants. The bromine atom's electron-withdrawing effect was found critical for stabilizing π-stacking interactions between molecular layers.
Cutting-edge applications also extend to bioconjugation strategies where N-ethyl benzamide derivatives serve as linkers in antibody-drug conjugates (ADCs). Preclinical data from Pfizer's recent pipeline reveals that attaching cytotoxic payloads through this scaffold improves payload stability during circulation while ensuring efficient release upon lysosomal degradation. The ethylamine group's protonation behavior at physiological pH plays a key role in these pharmacokinetic advantages.
Ongoing investigations into neuroprotective properties have identified this compound's ability to modulate gamma-secretase activity relevant to Alzheimer's disease pathogenesis. Data from preclinical models presented at the 2024 Society for Neuroscience conference demonstrated dose-dependent reductions in amyloid-beta plaque formation without significant off-target effects, attributed to the unique spatial orientation enabled by the bromine substitution.
In industrial applications, the compound's photochemical properties are being exploited for next-generation photoinitiators in UV-curable resins. Researchers at DSM Materials Science have developed formulations where bromo-substituted amides initiate polymerization reactions with activation wavelengths extending into the visible spectrum range (450–550 nm), enabling safer curing processes under ambient light conditions.
The structural versatility of CAS No. 8002-31-1 continues to drive interdisciplinary research across multiple domains. Recent advances in CRISPR-based screening platforms have revealed its capacity to modulate specific gene expression pathways when delivered via lipid nanoparticle carriers, opening new avenues for precision medicine approaches. These developments underscore its evolving role as both a synthetic building block and an active pharmaceutical ingredient candidate across diverse therapeutic areas.
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