≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Description
1-Ethynyl-4-methoxy-2-methylbenzene is an aromatic acetylene derivative. Its reaction with 2-diazo-5,5-dimethylcyclohexanedione (diazodimedone) has been reported to afford cycloadducts.1-Ethynyl-4-methoxy-2-methylbenzene may be used in the preparation of 5-chloro-3-[(4-methoxy-2-methylphenyl)ethynyl]pyridin-2-amine.
| Sonrisas canónicas | CC1=C(C=CC(=C1)OC)C#C |
|---|---|
| IUPAC Name | 1-ethynyl-4-methoxy-2-methylbenzene |
| InChIKey | IETBNYUYILAKFK-UHFFFAOYSA-N |
| INCHI | 1S/C10H10O/c1-4-9-5-6-10(11-3)7-8(9)2/h1,5-7H,2-3H3 |
| Isómeros SMILES | CC1=C(C=CC(=C1)OC)C#C |
| WGK Alemania | 3 |
| Peso molecular | 146.19 |
| Reaxy-Rn | 4662948 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4662948&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Clase | Phenol ethers |
| Subclass | Anisoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Anisoles |
| Alternative Parents | Phenoxy compounds Methoxybenzenes Toluenes Alkyl aryl ethers Acetylides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Phenoxy compound - Methoxybenzene - Anisole - Toluene - Alkyl aryl ether - Monocyclic benzene moiety - Acetylide - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof. |
| External Descriptors | Not available |
| Punto de inflamación (°F) | 199.4 °F |
|---|---|
| Punto de inflamación (°C) | 93 °C |
| Punto de fusión (°C) | 30-34 °C |
| Peso molecular | 146.190 g/mol |
| XLogP3 | 2.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 2 |
| Exact Mass | 146.073 Da |
| Monoisotopic Mass | 146.073 Da |
| Topological Polar Surface Area | 9.200 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 165.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
