Cas no 117428-51-0 (Methyl (αE)-2-(chloromethyl)-α-(methoxymethylene)benzeneacetate)
Methyl (αE)-2-(chloromethyl)-α-(methoxymethylene)benzeneacetate Chemical and Physical Properties
Names and Identifiers
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- Methyl (e)-3-methoxy-2-(2-chloromethylphenyl)-2-propenoate
- CTK5C3218
- Methyl 2-(2-(1-phenyl-4-piperazinyl)ethylamino)benzoate
- 2-[2-(4-phenyl-piperazin-1-yl)-ethylamino]-benzoic acid methyl ester
- methyl 2-[2-(chloromethyl)phenyl]-3-methoxypropenoate
- methyl (E)-3-methoxy-2-(2-chloromethylphenyl)acrylate
- Benzoic acid, 2-((2-(4-phenyl-1-piperazinyl)ethyl)amino)-, methyl ester
- LS-38163
- methyl 2-(2-chloromethyl phenyl)-3-methoxyacrylate
- Compound 756-267
- AC1MHET8
- AG-G-48012
- Methyl 2-[2-(1-phenyl4-piperazinyl)-ethylamino]-benzoate
- (E)-methyl 2-[2-(chloromethyl)phenyl]-3-methoxypropenoate
- E-methyl 2-(chloromethyl)phenyl-3-methoxy-propenoate
- (E)-methyl 2-(2-(chloromethyl)phenyl)-3-methoxyacrylate
- methyl (Z)-2-[2-(chloromethyl)phenyl]-3-methoxyprop-2-enoate
- Benzeneacetic acid, 2-(chloromethyl)-alpha-(methoxymethylene)-, methyl ester, (alphaE)-
- Methyl (alphaE)-2-(chloromethyl)-alpha-(methoxymethylene)benzeneacetate
- methyl (2Z)-2-[2-(chloromethyl)phenyl]-3-methoxyprop-2-enoate
- 117428-51-0
- SCHEMBL5997796
- (E)-methyl2-(2-(chloromethyl)phenyl)-3-methoxyacrylate
- methyl (E)-2-[2-(chloromethyl)phenyl]-3-methoxyprop-2-enoate
- 117428-95-2
- AKOS015890092
- A803774
- Methyl (I+/-E)-2-(chloromethyl)-I+/--(methoxymethylene)benzeneacetate
- DTXSID201175509
- METHYL (2E)-2-[2-(CHLOROMETHYL)PHENYL]-3-METHOXYPROP-2-ENOATE
- Methyl (αE)-2-(chloromethyl)-α-(methoxymethylene)benzeneacetate
-
- MDL: MFCD14635207
- Inchi: 1S/C12H13ClO3/c1-15-8-11(12(14)16-2)10-6-4-3-5-9(10)7-13/h3-6,8H,7H2,1-2H3/b11-8+
- InChI Key: QHBMFLGCOYKWJH-DHZHZOJOSA-N
- SMILES: ClCC1C=CC=CC=1/C(=C\OC)/C(=O)OC
Computed Properties
- Exact Mass: 240.05500
- Monoisotopic Mass: 240.0553220g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 5
- Complexity: 263
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.4
- Topological Polar Surface Area: 35.5?2
Experimental Properties
- PSA: 35.53000
- LogP: 2.58570
Methyl (αE)-2-(chloromethyl)-α-(methoxymethylene)benzeneacetate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | M622460-50mg |
Methyl (αE)-2-(chloromethyl)-α-(methoxymethylene)benzeneacetate |
117428-51-0 | 50mg |
$270.00 | 2023-05-17 | ||
| TRC | M622460-100mg |
Methyl (αE)-2-(chloromethyl)-α-(methoxymethylene)benzeneacetate |
117428-51-0 | 100mg |
$506.00 | 2023-05-17 | ||
| TRC | M622460-250mg |
Methyl (αE)-2-(chloromethyl)-α-(methoxymethylene)benzeneacetate |
117428-51-0 | 250mg |
$1223.00 | 2023-05-17 | ||
| TRC | M622460-500mg |
Methyl (αE)-2-(chloromethyl)-α-(methoxymethylene)benzeneacetate |
117428-51-0 | 500mg |
$2164.00 | 2023-05-17 | ||
| A2B Chem LLC | AA18351-100g |
Benzeneacetic acid, 2-(chloromethyl)-α-(methoxymethylene)-, methyl ester, (αE)- |
117428-51-0 | 95% | 100g |
$160.00 | 2024-04-20 | |
| A2B Chem LLC | AA18351-250g |
Benzeneacetic acid, 2-(chloromethyl)-α-(methoxymethylene)-, methyl ester, (αE)- |
117428-51-0 | 95% | 250g |
$285.00 | 2024-04-20 | |
| eNovation Chemicals LLC | K93966-100g |
Methyl (E)-3-methoxy-2-(2-chloromethylphenyl)-2-propenoate |
117428-51-0 | 95% | 100g |
$1850 | 2024-05-25 | |
| TRC | M622460-1g |
Methyl (αE)-2-(chloromethyl)-α-(methoxymethylene)benzeneacetate |
117428-51-0 | 1g |
$ 3000.00 | 2023-09-06 | ||
| eNovation Chemicals LLC | K93966-100g |
Methyl (E)-3-methoxy-2-(2-chloromethylphenyl)-2-propenoate |
117428-51-0 | 95% | 100g |
$1850 | 2025-02-28 | |
| eNovation Chemicals LLC | K93966-100g |
Methyl (E)-3-methoxy-2-(2-chloromethylphenyl)-2-propenoate |
117428-51-0 | 95% | 100g |
$1850 | 2025-03-03 |
Methyl (αE)-2-(chloromethyl)-α-(methoxymethylene)benzeneacetate Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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3. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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5. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
Additional information on Methyl (αE)-2-(chloromethyl)-α-(methoxymethylene)benzeneacetate
Comprehensive Overview of Methyl (αE)-2-(chloromethyl)-α-(methoxymethylene)benzeneacetate (CAS No. 117428-51-0)
Methyl (αE)-2-(chloromethyl)-α-(methoxymethylene)benzeneacetate (CAS No. 117428-51-0) is a specialized organic compound widely recognized in the fields of synthetic chemistry and pharmaceutical intermediates. Its unique molecular structure, featuring a chloromethyl group and a methoxymethylene moiety, makes it a valuable building block for synthesizing complex molecules. Researchers and industry professionals frequently search for this compound due to its applications in drug development and agrochemical formulations.
The compound’s benzeneacetate backbone is a key feature that enhances its reactivity and versatility. In recent years, the demand for high-purity intermediates like Methyl (αE)-2-(chloromethyl)-α-(methoxymethylene)benzeneacetate has surged, driven by advancements in green chemistry and sustainable synthesis. These trends align with global efforts to reduce environmental impact while maintaining efficiency in chemical production.
One of the most common queries related to this compound revolves around its synthetic pathways and reaction mechanisms. Scientists often explore its use in cross-coupling reactions or as a precursor for heterocyclic compounds. Additionally, its stability under various conditions is a topic of interest, particularly for storage and transportation in industrial settings.
Another hot topic is the compound’s role in pharmaceutical research. With the rise of personalized medicine and targeted therapies, intermediates like Methyl (αE)-2-(chloromethyl)-α-(methoxymethylene)benzeneacetate are critical for developing novel active pharmaceutical ingredients (APIs). Its structural flexibility allows for modifications that can enhance drug efficacy and reduce side effects.
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In conclusion, Methyl (αE)-2-(chloromethyl)-α-(methoxymethylene)benzeneacetate (CAS No. 117428-51-0) is a compound of significant interest in both academic and industrial circles. Its applications span multiple domains, from drug discovery to material science, making it a subject of ongoing research and innovation. By addressing common queries and highlighting its relevance to current trends, this overview aims to serve as a valuable resource for professionals and enthusiasts alike.
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