3′,5′-Dimethoxyacetophenone - ≥98% , CAS No.39151-19-4

CAS: 39151-19-4 Cat. No.: D471019 分子式: C₁₀H₁₂O₃ 分子量: 180.2 EC番号: 254-322-3

GRADE & PURITY ≥98%

Synonyms

PD197103 | SY013480 | DTXSID30959951 | InChI=1/C10H12O3/c1-7(11)8-4-9(12-2)6-10(5-8)13-3/h4-6H,1-3H3 | AB00953 | (+/-)-2,6-diamino-4,5,6,7-tetrahydrobenzothiazole | 5-fluoro-2,3-dihydro-1H-1,3-benzodiazol-2-one | SMR000019184 | 1-(3,5-Dimethoxyphenyl)etha

Storage

Store at 2-8°C

Shipped In

Wet ice

概要

Description

3′,5′-Dimethoxyacetophenone was used as starting reagent in the synthesis of 5,7-dimethoxy-3-methylindazole. It was used in the synthesis of (R)-(+)-1-(3,5-dimethoxyphenyl)ethyl acetate-ether-180.

Specifications

同義語

PD197103 | SY013480 | DTXSID30959951 | InChI=1/C10H12O3/c1-7(11)8-4-9(12-2)6-10(5-8)13-3/h4-6H,1-3H3 | AB00953 | (+/-)-2,6-diamino-4,5,6,7-tetrahydrobenzothiazole | 5-fluoro-2,3-dihydro-1H-1,3-benzodiazol-2-one | SMR000019184 | 1-(3,5-Dimethoxyphenyl)etha

仕様と純度

≥98%

保管条件

Store at 2-8°C

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥98%

名前と識別子

• パブケム・シド: 488186957
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/488186957
• カノニカル・スマイル: CC(=O)C1=CC(=CC(=C1)OC)OC
• IUPAC Name: 1-(3,5-dimethoxyphenyl)ethanone
• InChIKey: YJKHOUIVWKQRSL-UHFFFAOYSA-N
• INCHI: 1S/C10H12O3/c1-7(11)8-4-9(12-2)6-10(5-8)13-3/h4-6H,1-3H3
• 異性体SMILES: CC(=O)C1=CC(=CC(=C1)OC)OC
• WGKドイツ: 3
• RTECS: KM5775717
• 分子量: 180.2
• Reaxy-Rn: 2045586
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2045586&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • 分類 Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Aryl ketones
            • Level7 Phenylketones
              • Level8 Alkyl-phenylketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 分類: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones - Phenylketones
• Direct Parent: Alkyl-phenylketones
• Alternative Parents: Dimethoxybenzenes Acetophenones Phenoxy compounds Benzoyl derivatives Aryl alkyl ketones Anisoles Alkyl aryl ethers Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyl-phenylketone - M-dimethoxybenzene - Dimethoxybenzene - Acetophenone - Phenoxy compound - Methoxybenzene - Aryl alkyl ketone - Anisole - Phenol ether - Benzoyl - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Ether - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

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Discover Target: GLP1R

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関連ターゲット（非人間）

ampC Beta-lactamase AmpC (62480 Activities)

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作用メカニズム

化学的性質と物理的性質

• 溶解度: Insoluble in water
• 屈折率: 1.5430
• 引火点（°F）: 230 °F
• 引火点（°C）: >110 °C
• 沸点（°C）: 290.5°C
• 融点（°C）: 33-34°C
• 分子量: 180.200 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 180.079 Da
• Monoisotopic Mass: 180.079 Da
• Topological Polar Surface Area: 35.500 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 167.000
• 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

よくある質問

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 39151-19-4, the molecular formula is C10H12O3, and the molecular weight is 180.2 g/mol. InChIKey YJKHOUIVWKQRSL-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.