Cas no 78086-72-3 (Methyl 4-deoxy-2,3-O-isopropylidene-L-threonate)
Methyl 4-deoxy-2,3-O-isopropylidene-L-threonate Chemical and Physical Properties
Names and Identifiers
-
- (4R,5S)-Methyl 2,2,5-trimethyl-1,3-dioxolane-4-carboxylate
- 4-Deoxy-2,3-O-isopropylidene-L-threonic acid methyl ester
- Methyl 4-deoxy-2,3-O-isopropylidene-L-threonate
- Methyl (2R,3S)-2,3-O-Isopropylidene-2,3-Dihydroxybutyrate
- Methyl (4R,5S)-2,2,5-trimethyl-1,3-dioxolane-4-carboxylate
- DS-16457
- SCHEMBL7204854
- DTXSID60357426
- (4R,5S)-Methyl2,2,5-trimethyl-1,3-dioxolane-4-carboxylate
- AKOS015850838
- A839332
- Methyl (4R,5S)-2,2,5-trimethyl-1,3-dioxolane-4-carboxylate, technical, >=90% (sum of enantiomers, GC)
- F51894
- 78086-72-3
- MFCD00077802
- CS-W000681
- AKOS015915846
- AELKYRWKHKGMAD-NTSWFWBYSA-N
-
- MDL： MFCD00077802
- Inchi： 1S/C8H14O4/c1-5-6(7(9)10-4)12-8(2,3)11-5/h5-6H,1-4H3/t5-,6+/m0/s1
- InChI Key： AELKYRWKHKGMAD-NTSWFWBYSA-N
- SMILES： O1[C@@H](C)[C@H](C(=O)OC)OC1(C)C
Computed Properties
- Exact Mass: 174.08900
- Monoisotopic Mass: 174.08920892g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 188
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 0.8
- Topological Polar Surface Area: 44.8?2
Experimental Properties
- Density: 1.06?g/mL?at 20?°C(lit.)
- Boiling Point: 243.8°C at 760 mmHg
- Flash Point: Fahrenheit: 122 ° f
Celsius: 50 ° c - Refractive Index: n20/D 1.422
- PSA: 44.76000
- LogP: 0.69940
- Specific Rotation: 19 o (c=4% in chloroform)
- Optical Activity: [α]20/D +19±1°, c =?4% in chloroform
Methyl 4-deoxy-2,3-O-isopropylidene-L-threonate Security Information
-
Symbol:
- Signal Word：Warning
- Hazard Statement： H226
- Warning Statement： P210-P403+P235
- Hazardous Material transportation number：UN 1993
- WGK Germany：3
- Hazard Category Code： 10
- Safety Term：3.2
- Packing Group：III
- Risk Phrases：R10
- HazardClass：3.2
- PackingGroup：Ⅲ
- Storage Condition：Inert atmosphere,2-8°C(BD22598)
- Packing Group：III
- Hazard Level：3.2
Methyl 4-deoxy-2,3-O-isopropylidene-L-threonate 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%
Methyl 4-deoxy-2,3-O-isopropylidene-L-threonate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A159001602-1g |
(4R,5S)-Methyl 2,2,5-trimethyl-1,3-dioxolane-4-carboxylate |
78086-72-3 | 95% | 1g |
$153.00 | 2023-09-01 | |
| Alichem | A159001602-5g |
(4R,5S)-Methyl 2,2,5-trimethyl-1,3-dioxolane-4-carboxylate |
78086-72-3 | 95% | 5g |
$499.50 | 2023-09-01 | |
| Alichem | A159001602-10g |
(4R,5S)-Methyl 2,2,5-trimethyl-1,3-dioxolane-4-carboxylate |
78086-72-3 | 95% | 10g |
$772.50 | 2023-09-01 | |
| Chemenu | CM195771-1g |
methyl (4R,5S)-2,2,5-trimethyl-1,3-dioxolane-4-carboxylate |
78086-72-3 | 95% | 1g |
$153 | 2021-08-05 | |
| Chemenu | CM195771-5g |
methyl (4R,5S)-2,2,5-trimethyl-1,3-dioxolane-4-carboxylate |
78086-72-3 | 95% | 5g |
$421 | 2021-08-05 | |
| Chemenu | CM195771-10g |
methyl (4R,5S)-2,2,5-trimethyl-1,3-dioxolane-4-carboxylate |
78086-72-3 | 95% | 10g |
$701 | 2021-08-05 | |
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | R56710-5g |
Methyl (4R,5S)-2,2,5-trimethyl-1,3-dioxolane-4-carboxylate |
78086-72-3 | 5g |
￥2906.0 | 2021-09-04 | ||
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | R56710-250mg |
Methyl (4R,5S)-2,2,5-trimethyl-1,3-dioxolane-4-carboxylate |
78086-72-3 | 250mg |
￥326.0 | 2021-09-04 | ||
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | R56710-10g |
Methyl (4R,5S)-2,2,5-trimethyl-1,3-dioxolane-4-carboxylate |
78086-72-3 | 95% | 10g |
￥2860.0 | 2024-07-19 | |
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | R56710-1g |
Methyl (4R,5S)-2,2,5-trimethyl-1,3-dioxolane-4-carboxylate |
78086-72-3 | 1g |
￥806.0 | 2021-09-04 |
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Methyl 4-deoxy-2,3-O-isopropylidene-L-threonate Related Literature
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Additional information on Methyl 4-deoxy-2,3-O-isopropylidene-L-threonate
Methyl 4-deoxy-2,3-O-isopropylidene-L-threonate (CAS No. 78086-72-3): A Comprehensive Overview
Methyl 4-deoxy-2,3-O-isopropylidene-L-threonate, identified by its CAS number 78086-72-3, is a significant compound in the field of chemical and pharmaceutical research. This compound has garnered considerable attention due to its unique structural properties and potential applications in various biological and medical contexts. The meticulous synthesis and characterization of this molecule have opened new avenues for exploring its utility in drug development and biochemical pathways.
The structural framework of Methyl 4-deoxy-2,3-O-isopropylidene-L-threonate is characterized by a sugar-like moiety, which makes it a valuable intermediate in the synthesis of more complex carbohydrates and glycosides. This structural motif is particularly relevant in the study of glycosylation processes, which are crucial for the function of many biomolecules. The presence of the isopropylidene group at the 2 and 3 positions enhances the stability of the molecule, making it a robust candidate for further derivatization and functionalization.
In recent years, there has been a surge in research focused on the development of novel therapeutic agents that target carbohydrate metabolism. Methyl 4-deoxy-2,3-O-isopropylidene-L-threonate has emerged as a key intermediate in this domain. Its ability to serve as a precursor for more complex sugar derivatives has made it indispensable in synthetic organic chemistry. Moreover, its role in mimicking natural sugars has opened up possibilities for designing molecules that can interact with specific biological targets, thereby aiding in the development of new drugs.
The compound's significance extends to its potential applications in the field of enzymology. Researchers have been exploring how derivatives of this molecule can influence enzyme activity, particularly those involved in glycoside hydrolases. These enzymes are critical for breaking down complex carbohydrates and are implicated in various diseases, including diabetes and cancer. By understanding how Methyl 4-deoxy-2,3-O-isopropylidene-L-threonate interacts with these enzymes, scientists can develop inhibitors or modulators that could lead to novel treatments.
Advances in computational chemistry have also played a pivotal role in elucidating the properties of this compound. Molecular modeling studies have provided insights into its binding interactions with biological targets, which are essential for designing effective drugs. These studies have highlighted the importance of the isopropylidene group in determining the compound's binding affinity and specificity. Such findings are crucial for optimizing drug candidates and improving their efficacy.
The synthesis of Methyl 4-deoxy-2,3-O-isopropylidene-L-threonate involves sophisticated chemical methodologies that require precise control over reaction conditions. The use of advanced techniques such as chiral catalysis has enabled the production of enantiomerically pure forms of this compound, which is essential for pharmaceutical applications. These synthetic advancements have not only improved yield but also enhanced the purity of the final product, making it more suitable for further biological studies.
In conclusion, Methyl 4-deoxy-2,3-O-isopropylidene-L-threonate (CAS No. 78086-72-3) represents a fascinating compound with diverse applications in chemical biology and drug development. Its unique structural features and potential interactions with biological systems make it a valuable tool for researchers investigating carbohydrate metabolism and glycosylation processes. As our understanding of its properties continues to grow, so too will its utility in addressing some of the most challenging issues in medicine and biotechnology.
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