Cas no 16409-43-1 ((4S)-4-methyl-2-(2-methylprop-1-en-1-yl)oxane)
(4S)-4-methyl-2-(2-methylprop-1-en-1-yl)oxane Chemical and Physical Properties
Names and Identifiers
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- 4-Methyl-2-(2-methylprop-1-en-1-yl)tetrahydro-2H-pyran
- tetrahydro-4-methyl-2-(2-methylprop-1-enyl)pyran
- Tetrahydro-4-methyl-2-(2-methyl-1-propenyl)-2H-pyran
- 4-Methyl-2-(2-methyl-1-propenyl)tetrahydropyran (cis- and trans- mixture)
- (+)-Rose oxide
- (+)-ROSE OXIDE, TERPENE STANDARD
- (?)-Rose oxide
- 4-Methyl-2-(2-methylprop-1-enyl)tetrahydropyran
- NULL
- tetrahydro-4-methyl-2-(2-methyl-1-propen-1-yl)-2H-Pyran
- FEMA 3236
- (4R)-2-(2-Methyl-1-propenyl)-4-methyltetrahydropyran
- 4-Methoxy-5,5-dimethyl-propy
- 4-methoxy-5,5-dimethyltetrahydropyrimidin-2(1h)-one
- 4-methoxy-5,5-dimethyl-tetrahydro-pyrimidin-2-one
- 4-Methyl-2-(2-methyl-1-propenyl)tetrahydropyran
- 4-Methyl-2-(2-methyl-1-propenyl)-tetrahydropyran
- 4-methyl-2-(2-methyl-propenyl)-tetrahydro-pyran
- Rose oxide
- tetrahydro-4-methoxy-5,5-dimethyl-1H-pyrimidin-2-one
- Rosoxide
- rosenoxide
- c-rose oxide
- DL-Rose oxide
- Rose oxide cis
- Rose oxide , I
- (Z)-Rose oxide
- Rose oxide levo
- 2H-Pyran, tetrahydro-4-methyl-2-(2-methyl-1-propenyl)-
- FEMA No. 3236
- 2H-Pyran, tetrahydro-4-methyl-2-(2-methyl-1-propen-1-yl)-
- 4-methyl-2-(2-methylpropenyl)tetrahydro-2h-pyran
- Pyran, tetrahydro-4-methyl-2-(2-methylpropenyl)-
- Pyran, 2-(2-methy
- (4S)-4-methyl-2-(2-methylprop-1-en-1-yl)oxane
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- MDL: MFCD00036607
- Inchi: 1S/C10O/c1-8(2)6-10-7-9(3)4-5-11-10
- InChI Key: HQRLVHLCLMCXIT-UHFFFAOYSA-N
- SMILES: [C][C]1[C][C](/[C]=C(\[C])/[C])O[C][C]1 |^1:0,1,3,4,6,7,^4:2,9,10|
- BRN: 0111348
Computed Properties
- Exact Mass: 154.13600
- Monoisotopic Mass: 154.136
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 145
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 2.9
- Topological Polar Surface Area: 9.2
Experimental Properties
- Color/Form: Colorless liquid
- Density: 0.873?g/mL?at 20?°C(lit.)
- Boiling Point: 88°C/22mmHg(lit.)
- Flash Point: Fahrenheit: 156.2 ° f
Celsius: 69 ° c - Refractive Index: n20/D 1.454
- PSA: 9.23000
- LogP: 2.76770
- FEMA: 3236 | TETRAHYDRO-4-METHYL-2-(2-METHYLPROPEN-1-YL)PYRAN
- Optical Activity: [α]20/D ?28±1°, neat
- Solubility: Not determined
(4S)-4-methyl-2-(2-methylprop-1-en-1-yl)oxane Security Information
-
Symbol:
- Prompt:warning
- Signal Word:Warning
- Hazard Statement: H315
- Warning Statement: P210-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P312-P370+P378-P403+P235-P501
- Hazardous Material transportation number:NONH for all modes of transport
- WGK Germany:3
- Hazard Category Code: 38
- Safety Instruction: S36
- FLUKA BRAND F CODES:10-23
- RTECS:UQ1470000
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Hazardous Material Identification:
- Risk Phrases:R38
(4S)-4-methyl-2-(2-methylprop-1-en-1-yl)oxane 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%
(4S)-4-methyl-2-(2-methylprop-1-en-1-yl)oxane 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. | W323608-SAMPLE-K |
(4S)-4-methyl-2-(2-methylprop-1-en-1-yl)oxane |
16409-43-1 | mixture of | 587.6 | 2021-05-17 | ||
| XI GE MA AO DE LI QI ( SHANG HAI ) MAO YI Co., Ltd. | W323608-100G-K |
(4S)-4-methyl-2-(2-methylprop-1-en-1-yl)oxane |
16409-43-1 | mixture of | 100G |
868.16 | 2021-05-17 | |
| XI GE MA AO DE LI QI ( SHANG HAI ) MAO YI Co., Ltd. | W323608-1KG-K |
(4S)-4-methyl-2-(2-methylprop-1-en-1-yl)oxane |
16409-43-1 | mixture of | 1KG |
2750.68 | 2021-05-17 | |
| XI GE MA AO DE LI QI ( SHANG HAI ) MAO YI Co., Ltd. | 83917-1ML |
(4S)-4-methyl-2-(2-methylprop-1-en-1-yl)oxane |
16409-43-1 | 1ml |
¥521.38 | 2023-10-21 | ||
| XI GE MA AO DE LI QI ( SHANG HAI ) MAO YI Co., Ltd. | 83915-1ML |
(4S)-4-methyl-2-(2-methylprop-1-en-1-yl)oxane |
16409-43-1 | analytical standard | 1ML |
¥443.99 | 2022-02-23 | |
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | T822565-500g |
Tetrahydro-4-methyl-2-(2-methyl-1-propenyl)-2H-pyran |
16409-43-1 | 99% | 500g |
1,608.00 | 2021-05-17 | |
| Fluorochem | 223985-25g |
4-Methyl-2-(2-methylprop-1-en-1-yl)tetrahydro-2H-pyran |
16409-43-1 | 95% | 25g |
£22.00 | 2022-02-28 | |
| TRC | M670200-250mg |
(4S)-4-methyl-2-(2-methylprop-1-en-1-yl)oxane |
16409-43-1 | 250mg |
$ 50.00 | 2022-06-03 | ||
| TRC | M670200-500mg |
(4S)-4-methyl-2-(2-methylprop-1-en-1-yl)oxane |
16409-43-1 | 500mg |
$ 65.00 | 2022-06-03 | ||
| TRC | M670200-2.5g |
(4S)-4-methyl-2-(2-methylprop-1-en-1-yl)oxane |
16409-43-1 | 2.5g |
$ 80.00 | 2022-06-03 |
(4S)-4-methyl-2-(2-methylprop-1-en-1-yl)oxane Suppliers
(4S)-4-methyl-2-(2-methylprop-1-en-1-yl)oxane Related Literature
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Davide Ravelli,Stefano Protti,Paolo Neri,Maurizio Fagnoni,Angelo Albini Green Chem. 2011 13 1876
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Dirk Ziegenbalg,Günter Kreisel,Dieter Wei?,Dana Kralisch Photochem. Photobiol. Sci. 2014 13 1005
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Antonia Kouridaki,Kevin Huvaere React. Chem. Eng. 2017 2 590
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David H. Grayson Nat. Prod. Rep. 2000 17 385
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Ying Zhang,Xiaoning Jin,Xiaofei Ma,Yong Wang Anal. Methods 2021 13 8
Additional information on (4S)-4-methyl-2-(2-methylprop-1-en-1-yl)oxane
Compound Introduction: CAS No 16409-43-1 and (4S)-4-methyl-2-(2-methylprop-1-en-1-yl)oxane
The compound identified by the chemical identifier CAS No 16409-43-1 corresponds to the enantiomerically pure form of (4S)-4-methyl-2-(2-methylprop-1-en-1-yl)oxane, a molecule of significant interest in the field of chiral chemistry and pharmaceutical research. This oxane derivative, characterized by its stereogenic center at the 4-position, has garnered attention due to its potential applications in drug development and catalysis.
The oxane ring, a five-membered heterocyclic structure containing one oxygen atom, is a common motif in biologically active compounds. Its flexibility and ability to adopt various conformations make it an attractive scaffold for designing molecules with specific interactions. In the case of (4S)-4-methyl-2-(2-methylprop-1-en-1-yl)oxane, the presence of a chiral center at the 4-position introduces asymmetry, which can influence both the physical properties and biological activity of the molecule.
Recent advancements in asymmetric synthesis have enabled the efficient preparation of enantiomerically pure oxane derivatives like (4S)-4-methyl-2-(2-methylprop-1-en-1-yl)oxane. These methods often employ transition metal-catalyzed reactions or biocatalytic approaches to achieve high enantiomeric excess. The ability to produce such compounds with high purity is crucial for pharmaceutical applications, where the stereochemistry of a molecule can significantly impact its efficacy and safety.
The structural features of (4S)-4-methyl-2-(2-methylprop-1-en-1-yl)oxane make it a promising candidate for further investigation in medicinal chemistry. The presence of a double bond in the 2-methylpropyl group and the methyl substituent at the 4-position contribute to its complex electronic environment. This complexity can be exploited to design molecules with tailored properties, such as improved solubility or enhanced binding affinity to biological targets.
In the context of drug discovery, oxane derivatives have been explored for their potential as pharmacophores in various therapeutic areas. For instance, modifications of the oxane ring have been shown to influence metabolic stability and oral bioavailability. The enantiomeric purity of (4S)-4-methyl-2-(2-methylprop-1-en-1-yl)oxane ensures that its biological effects can be studied without interference from its enantiomer, providing clearer insights into its mechanism of action.
Recent studies have highlighted the role of chiral oxanes in modulating enzyme activity. For example, derivatives of this class have been investigated for their interactions with enzymes involved in metabolic pathways relevant to diseases such as diabetes and cancer. The stereochemical configuration at the 4-position plays a critical role in determining how these molecules bind to their targets, making it a key focus for structural optimization.
The synthesis of complex molecules like (4S)-4-methyl-2-(2-methylprop-1-en-1-yl)oxane also contributes to the development of new synthetic methodologies. Techniques such as asymmetric hydrogenation and dynamic kinetic resolutions have been employed to achieve high yields and enantiomeric purity. These advancements not only facilitate access to valuable compounds but also expand the toolkit available for synthetic chemists.
From a broader perspective, the study of (4S)-4-methyl-2-(2-methylprop-1-en-1-yl)oxane exemplifies the importance of interdisciplinary research in modern chemistry. By combining insights from organic synthesis, medicinal chemistry, and biochemistry, researchers can develop innovative solutions to complex problems. The continued exploration of chiral oxanes is likely to yield new therapeutic agents and deepen our understanding of molecular recognition processes.
The future directions for research on CAS No 16409-43-1 and its derivatives include further exploration of their biological activities and development into lead compounds for drug discovery. Additionally, computational studies using molecular modeling techniques can help predict how these molecules interact with biological targets, guiding experimental efforts towards more effective designs.
In conclusion, (4S)-4-methyl-2-(2-methylprop-1-en-1-yloxane) represents a fascinating example of how structural complexity can be harnessed for pharmaceutical applications. Its unique properties make it a valuable tool for researchers investigating chiral chemistry and drug development. As synthetic methods continue to improve, access to such compounds will become more efficient, paving the way for new discoveries in medicine.
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