Cas no 2029-49-4 (3-Hydroxy-2,6-bis(hydroxymethyl)-4-pyrone)
3-Hydroxy-2,6-bis(hydroxymethyl)-4-pyrone Chemical and Physical Properties
Names and Identifiers
-
- 4H-Pyran-4-one,3-hydroxy-2,6-bis(hydroxymethyl)-
- 3-HYDROXY-2,6-BIS(HYDROXYMETHYL)-4-PYRONE
- 3-hydroxy-2,6-bis(hydroxymethyl)pyran-4-one
- 2,6-dihydroxymethyl-3-hydroxy-4-pyrone
- 2,6-Dihydroxymethyl-5-hydroxy-4-pyrone
- 3-Hydroxy-2,6-bis-hydroxymethyl-pyran-4-on
- 3-hydroxy-2,6-bis-hydroxymethyl-pyran-4-one
- 3-hydroxy-2,6-bis(hydroxymethyl)-4H-pyran-4-one
- Maybridge1_000150
- MixCom1_000282
- Oprea1_284151
- YZUXYQQFVNGYCA-UHFFFAOYSA-N
- FCH1116715
- ZB004549
- 2,6-Dihydroxymethyl-3-hydroxypyran-4(1H)-one
- SR-
- FT-0692183
- SCHEMBL3558568
- CAA02949
- 2029-49-4
- MFCD00110732
- T72045
- 3-hydroxy-2, 6-bis(hydroxymethyl)pyran-4-one
- AKOS022191519
- H1019
- NS00097809
- CCG-52076
- A879726
- 4H-Pyran-4-one, 3-hydroxy-2,6-bis(hydroxymethyl)-
- DTXSID90372682
- AS-68084
- SR-01000641331-1
- 3-Hydroxy-2,6-bis(hydroxymethyl)-4-pyrone
-
- MDL: MFCD00110732
- Inchi: 1S/C7H8O5/c8-2-4-1-5(10)7(11)6(3-9)12-4/h1,8-9,11H,2-3H2
- InChI Key: YZUXYQQFVNGYCA-UHFFFAOYSA-N
- SMILES: O1C(CO)=CC(C(=C1CO)O)=O
Computed Properties
- Exact Mass: 172.03700
- Monoisotopic Mass: 172.037
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 263
- 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: 87
- Surface Charge: 0
- Tautomer Count: 2
- XLogP3: -1.2
Experimental Properties
- Density: 1.583
- Boiling Point: 496.5°C at 760 mmHg
- Flash Point: 213.7°C
- Refractive Index: 1.617
- PSA: 90.90000
- LogP: -0.67000
3-Hydroxy-2,6-bis(hydroxymethyl)-4-pyrone Security Information
- Hazard Category Code: 36/37/38
- Safety Instruction: S26; S36/37/39
- Risk Phrases:R36/37/38
3-Hydroxy-2,6-bis(hydroxymethyl)-4-pyrone Customs Data
- HS CODE:2932999099
- Customs Data:
China Customs Code:
2932999099Overview:
2932999099. Other heterocyclic compounds containing only oxygen heteroatoms. 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
Summary:
2932999099. other heterocyclic compounds with oxygen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
3-Hydroxy-2,6-bis(hydroxymethyl)-4-pyrone Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TI XI AI ( SHANG HAI ) HUA CHENG GONG YE FA ZHAN Co., Ltd. | H1019-5G |
3-Hydroxy-2,6-bis(hydroxymethyl)-4-pyrone |
2029-49-4 | >98.0%(T)(HPLC) | 5g |
¥1435.00 | 2023-09-07 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | H156867-1G |
3-Hydroxy-2,6-bis(hydroxymethyl)-4-pyrone |
2029-49-4 | 98% | 1g |
¥529.90 | 2023-09-02 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | H156867-250mg |
3-Hydroxy-2,6-bis(hydroxymethyl)-4-pyrone |
2029-49-4 | 98% | 250mg |
¥205.90 | 2023-09-02 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | H156867-5G |
3-Hydroxy-2,6-bis(hydroxymethyl)-4-pyrone |
2029-49-4 | 98% | 5g |
¥1299.90 | 2023-09-02 | |
| Alichem | A119001677-10g |
3-Hydroxy-2,6-bis(hydroxymethyl)-4H-pyran-4-one |
2029-49-4 | 95% | 10g |
$498.00 | 2023-09-02 | |
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | H862373-1g |
3-Hydroxy-2,6-bis(hydroxymethyl)-4-pyrone |
2029-49-4 | ≥98%(HPLC)(T) | 1g |
¥588.00 | 2022-01-10 | |
| TRC | H843480-1g |
3-Hydroxy-2,6-bis(hydroxymethyl)-4-pyrone |
2029-49-4 | 1g |
$ 144.00 | 2023-09-07 | ||
| TRC | H843480-2.5g |
3-Hydroxy-2,6-bis(hydroxymethyl)-4-pyrone |
2029-49-4 | 2.5g |
$ 270.00 | 2023-09-07 | ||
| TRC | H843480-5g |
3-Hydroxy-2,6-bis(hydroxymethyl)-4-pyrone |
2029-49-4 | 5g |
$ 425.00 | 2023-09-07 | ||
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | H862373-250mg |
3-Hydroxy-2,6-bis(hydroxymethyl)-4-pyrone |
2029-49-4 | ≥98%(HPLC)(T) | 250mg |
¥248.00 | 2022-01-10 |
3-Hydroxy-2,6-bis(hydroxymethyl)-4-pyrone Related Literature
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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3. An integrated chip for immunofluorescence and its application to analyze lysosomal storage disordersJie Shen,Ying Zhou,Tu Lu,Junya Peng,Zhixiang Lin,Yuhong Pang,Li Yu Lab Chip, 2012,12, 317-324
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Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
Additional information on 3-Hydroxy-2,6-bis(hydroxymethyl)-4-pyrone
Properties and Applications of 3-Hydroxy-2,6-bis(hydroxymethyl)-4-pyrone (CAS No. 2029-49-4)
3-Hydroxy-2,6-bis(hydroxymethyl)-4-pyrone, with the CAS number 2029-49-4, is a heterocyclic organic compound that has garnered significant attention in the field of chemical biology and pharmaceutical research due to its unique structural and functional properties. This compound belongs to the pyrone class, which is characterized by a six-membered aromatic ring containing one oxygen atom and two adjacent hydroxymethyl groups. The presence of these functional groups imparts distinct reactivity and biological potential, making it a valuable scaffold for drug discovery and material science applications.
The molecular structure of 3-Hydroxy-2,6-bis(hydroxymethyl)-4-pyrone consists of a pyranone core with hydroxymethyl substituents at the 2- and 6-positions. This arrangement confers a high degree of flexibility and reactivity, enabling the compound to participate in various chemical transformations. These include condensation reactions, oxidation processes, and polymerization pathways, which are pivotal in synthetic chemistry. The compound's ability to undergo multiple functionalization reactions makes it an attractive intermediate in the synthesis of more complex molecules.
Recent advancements in chemical biology have highlighted the potential of 3-Hydroxy-2,6-bis(hydroxymethyl)-4-pyrone as a precursor in the development of bioactive molecules. Its structural motif is reminiscent of natural products that exhibit pharmaceutical properties, such as antiviral, anti-inflammatory, and antioxidant activities. For instance, derivatives of this compound have been explored for their capacity to modulate enzymatic pathways involved in cellular metabolism and stress responses. The hydroxymethyl groups provide sites for further derivatization, allowing researchers to fine-tune the biological activity by introducing additional functional groups or linking it to other pharmacophores.
In material science, 3-Hydroxy-2,6-bis(hydroxymethyl)-4-pyrone has been investigated for its role in polymer formation. The compound can undergo cross-linking reactions to form hydrogels or polymers with specific mechanical and thermal properties. These materials find applications in drug delivery systems, where controlled release mechanisms are essential for therapeutic efficacy. The ability of 3-Hydroxy-2,6-bis(hydroxymethyl)-4-pyrone to form stable polymers while maintaining biocompatibility makes it a promising candidate for biomedical applications.
The synthesis of 3-Hydroxy-2,6-bis(hydroxymethyl)-4-pyrone typically involves condensation reactions between glycols and ketones under controlled conditions. Recent studies have optimized these synthetic routes to improve yield and purity, ensuring that the compound is suitable for high-throughput screening and industrial-scale production. Advances in catalytic methods have also enabled greener synthesis approaches, reducing the environmental impact of producing this valuable intermediate.
One notable application of 3-Hydroxy-2,6-bis(hydroxymethyl)-4-pyrone is in the development of novel biomaterials with enhanced biodegradability and biocompatibility. Researchers have leveraged its structural features to create materials that can be efficiently metabolized by biological systems without causing toxicity. Such materials are particularly relevant in tissue engineering and regenerative medicine, where scaffolds that support cell growth while minimizing foreign body responses are critical.
The pharmacological potential of 3-Hydroxy-2,6-bis(hydroxymethyl)-4-pyrone has been further explored through computational modeling and experimental validation. Virtual screening techniques have identified potential binding interactions between this compound and target enzymes or receptors involved in disease pathways. Experimental validation through enzyme inhibition assays has corroborated these predictions, providing a foundation for designing more potent derivatives with improved pharmacokinetic profiles.
In conclusion,3-Hydroxy-2,6-bis(hydroxymethyl)-4-pyrone (CAS No. 2029-49-4) is a versatile compound with broad applications in pharmaceuticals and materials science. Its unique structural features enable diverse chemical modifications, making it a valuable building block for drug discovery efforts. Additionally,3-Hydroxy-2,6-bis(hydroxymethyl)-4-pyrone's role in polymer formation underscores its importance in developing advanced biomaterials with tailored properties. As research continues to uncover new synthetic methodologies and biological functions,this compound is poised to remain at the forefront of interdisciplinary studies across chemistry,biology,and medicine.
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