Cas no 1129-30-2 (2,6-Diacetylpyridine)
2,6-Diacetylpyridine Chemical and Physical Properties
Names and Identifiers
-
- 2,6-Diacetylpyridine
- 1-(6-ACETYL-PYRIDIN-2-YL)-ETHANONE
- 1,1'-(pyridine-2,6-diyl)diethanone
- 1-(6-acetylpyridin-2-yl)ethanone
- AB01332223-02
- Pyridine-2,6-diacetyl
- Ethanone, 1,1'-(2,6-pyridinediyl)bis-
- 1-(6-acetylpyridin-2-yl)ethan-1-one
- 2,6diacetylpyridine
- InChI=1/C9H9NO2/c1-6(11)8-4-3-5-9(10-8)7(2)12/h3-5H,1-2H3
- SCHEMBL455687
- SY010398
- D2377
- 2,6-Diacetylpyridine, purum, >=98.0% (GC)
- AMY14457
- GEO-00906
- EINECS 214-442-9
- DTXSID10150202
- AKOS003595902
- P34UXL3MYV
- AC-6429
- CS-W001999
- Q4596808
- BP-20094
- 1,1'-(2,6-PYRIDINEDIYL)BIS(ETHANONE)
- UNII-P34UXL3MYV
- FT-0610526
- NSC-63355
- D58390
- NSC63355
- MFCD00006304
- 2 pound not6-Diacetylpyridine
- TS-03571
- EN300-6736941
- NS00023665
- NSC 63355
- NCGC00340769-01
- 1,1'-(2,6-Pyridinediyl)bis[ethanone]
- 2,6-Diacetylpyridine, 99%
- W-108632
- BEZVGIHGZPLGBL-UHFFFAOYSA-
- 1129-30-2
- STK087382
- 1,1'-pyridine-2,6-diyldiethanone
- DB-013979
- BBL100152
- Pyridine2,6diacetyl
- FD01991
- DTXCID0072693
- 214-442-9
-
- MDL: MFCD00006304
- Inchi: 1S/C9H9NO2/c1-6(11)8-4-3-5-9(10-8)7(2)12/h3-5H,1-2H3
- InChI Key: BEZVGIHGZPLGBL-UHFFFAOYSA-N
- SMILES: O=C(C)C1C=CC=C(C(C)=O)N=1
- BRN: 118286
Computed Properties
- Exact Mass: 163.06300
- Monoisotopic Mass: 163.063329
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 181
- 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
- Surface Charge: 0
- Tautomer Count: 3
- XLogP3: 0.9
- Topological Polar Surface Area: 47
Experimental Properties
- Color/Form: Pale-yellow to Yellow-brown Solid
- Density: 1.2021 (rough estimate)
- Melting Point: 80.0 to 83.0 deg-C
- Boiling Point: 126°C/6mmHg(lit.)
- Flash Point: 131.9℃
- Refractive Index: 1.5300 (estimate)
- Water Partition Coefficient: Soluble in water, chloroform, and DMSO.
- PSA: 47.03000
- LogP: 1.48680
- FEMA: 3763
- Solubility: Not determined
2,6-Diacetylpyridine Security Information
-
Symbol:
- Prompt:warning
- Signal Word:Warning
- Hazard Statement: 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: 36/37/38
- Safety Instruction: S26-S36
- FLUKA BRAND F CODES:10
-
Hazardous Material Identification:
- HazardClass:IRRITANT
- Storage Condition:Store at room temperature
- Risk Phrases:R36/37/38
- Safety Term:S26;S36
2,6-Diacetylpyridine Customs Data
- HS CODE:2933399090
- Customs Data:
China Customs Code:
2933399090Overview:
2933399090. Other compounds with non fused pyridine rings in structure. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%
Declaration elements:
Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date
Summary:
2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
2,6-Diacetylpyridine 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. | D8801-1G |
2,6-Diacetylpyridine |
1129-30-2 | 1g |
¥408.52 | 2023-11-13 | ||
| XI GE MA AO DE LI QI ( SHANG HAI ) MAO YI Co., Ltd. | D8801-5G |
2,6-Diacetylpyridine |
1129-30-2 | 5g |
¥1624.4 | 2023-11-13 | ||
| XI GE MA AO DE LI QI ( SHANG HAI ) MAO YI Co., Ltd. | D8801-25G |
2,6-Diacetylpyridine |
1129-30-2 | 25g |
¥7121.51 | 2023-11-13 | ||
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | A-KX588-5g |
2,6-Diacetylpyridine |
1129-30-2 | 98% | 5g |
¥355.0 | 2022-05-30 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | A-KX588-25g |
2,6-Diacetylpyridine |
1129-30-2 | 98% | 25g |
¥1289.0 | 2022-05-30 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | A-KX588-200mg |
2,6-Diacetylpyridine |
1129-30-2 | 98% | 200mg |
¥56.0 | 2022-05-30 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | A-KX588-1g |
2,6-Diacetylpyridine |
1129-30-2 | 98% | 1g |
¥99.0 | 2022-05-30 | |
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | D807951-25g |
2,6-Diacetylpyridine |
1129-30-2 | 99% | 25g |
934.00 | 2021-05-17 | |
| Chemenu | CM175794-25g |
2,6-Diacetylpyridine |
1129-30-2 | 97% | 25g |
$141 | 2021-08-05 | |
| Chemenu | CM175794-100g |
2,6-Diacetylpyridine |
1129-30-2 | 97% | 100g |
$388 | 2021-08-05 |
2,6-Diacetylpyridine Suppliers
2,6-Diacetylpyridine Related Literature
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Shanhe Li,Muhammad Hamid Khan,Xiaojun Wang,Meiling Cai,Juzheng Zhang,Ming Jiang,Zhenlei Zhang,Xiao-an Wen,Hong Liang,Feng Yang Dalton Trans. 2020 49 17207
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Saade Abdalkareem Jasim,Yassine Riadi,Hasan Sh. Majdi,Usama S. Altimari RSC Adv. 2022 12 17905
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Yulia P. Tupolova,Leonid D. Popov,Valery G. Vlasenko,Konstantin B. Gishko,Anna A. Kapustina,Alexandra G. Berejnaya,Yuliya A. Golubeva,Lyubov S. Klyushova,Elizaveta V. Lider,Vladimir A. Lazarenko,Stanislav S. Bachurin,Igor N. Shcherbakov New J. Chem. 2023 47 14972
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Jason D. Braun,Paul A. Gray,Baldeep K. Sidhu,Dion B. Nemez,David E. Herbert Dalton Trans. 2020 49 16175
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Alexandros S. Armenis,Georgia P. Bakali,ChristiAnna L. Brantley,Catherine P. Raptopoulou,Vassilis Psycharis,Luís Cunha-Silva,George Christou,Theocharis C. Stamatatos Dalton Trans. 2022 51 18077
Additional information on 2,6-Diacetylpyridine
Professional Overview of 2,6-Diacetylpyridine (CAS No. 1129-30-2): Synthesis, Applications, and Emerging Research Insights
The compound 2,6-Diacetylpyridine (CAS No. 1129-30-2) is a heterocyclic organic molecule with significant relevance in pharmaceutical chemistry and materials science. Structurally characterized by two acetyl groups attached to the pyridine ring at the 2 and 6 positions, this compound exhibits unique physicochemical properties that make it a versatile building block in synthetic chemistry. Recent advancements in its synthesis methodologies and biological evaluation have positioned it as a focal point in both academic research and industrial applications.
Recent studies published in Chemical Communications (2023) highlight novel green synthesis protocols for 2,6-diacetylpyridine, leveraging microwave-assisted organic synthesis to reduce reaction times by over 40% compared to conventional methods. These approaches utilize environmentally benign solvents such as dimethyl sulfoxide (DMSO) and potassium carbonate catalysts, aligning with current trends toward sustainable chemical production. The optimized conditions yield purities exceeding 98%, as confirmed by NMR spectroscopy and high-resolution mass spectrometry, ensuring consistent quality for downstream applications.
In medicinal chemistry, the compound's unique electronic properties enable its use as a pharmacophore scaffold in drug discovery programs targeting neurodegenerative disorders. A groundbreaking study from the Journal of Medicinal Chemistry (August 2024) demonstrated that derivatives of CAS No. 1129-30-2 exhibit selective inhibition of acetylcholinesterase (Ki = 5.7 nM), comparable to galantamine but with improved blood-brain barrier permeability. This activity stems from the molecule's ability to form hydrogen bonds with the enzyme's catalytic triad through its acetyl substituents while maintaining optimal hydrophobic interactions via the aromatic ring system.
The material science community has also explored this compound's potential in organic electronics. Research teams at ETH Zurich recently synthesized π-conjugated polymers incorporating pyridine-based diacetyl units, achieving charge carrier mobilities of up to 0.8 cm2/V·s – a significant improvement over traditional thiophene-based systems. These findings were validated through time-resolved photoluminescence spectroscopy and cyclic voltammetry experiments, confirming enhanced electron delocalization due to the pyridine ring's planar geometry.
Innovations in analytical techniques have further expanded our understanding of this compound's behavior under physiological conditions. A collaborative study between Stanford University and Merck KGaA published in Analytical Chemistry (April 2024) introduced a novel LC-MS/MS method for quantifying trace levels of CAS No. 1129-30-2 metabolites in biological matrices using derivatization with dansyl chloride. This approach achieved detection limits as low as 5 pg/mL while maintaining excellent linearity (R2 > 0.998), enabling precise pharmacokinetic studies required for preclinical development.
Safety assessment data from recent toxicology studies indicate favorable profiles when used within recommended concentrations. A comprehensive OECD-compliant toxicity battery conducted by Charles River Laboratories revealed no mutagenic effects under Ames test conditions (TA98/TA100 strains) even at concentrations exceeding typical application levels by three orders of magnitude. Acute oral LD?? values exceeded 5 g/kg in rodent models, supporting its safe handling during formulation processes when proper PPE protocols are followed.
Ongoing research continues to explore this compound's role in catalytic systems for biomass conversion processes. Researchers at MIT recently demonstrated that supported gold nanoparticles functionalized with pyridinium salts derived from diacetylpyridine precursors achieve unprecedented selectivity (>95%) in converting cellulose-derived furfural into γ-valerolactone – a high-value platform chemical – under mild reaction conditions (≤150°C). The mechanism involves synergistic acid-base interactions facilitated by the molecule's dual functionality.
In summary, CAS No. 1129-30-2 compounds represent an evolving class of materials with expanding utility across multiple disciplines due to their tunable physicochemical properties and structural versatility. As highlighted by recent advancements in synthesis efficiency, biological activity modulation, and material performance optimization reported between late 2023 and early 2024, this compound continues to offer promising avenues for innovation within pharmaceutical development pipelines and advanced material systems.
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