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

CAS: 39151-19-4 Cat. No.: D471019 Fórmula: C₁₀H₁₂O₃ Peso molecular: 180.2 Número EC: 254-322-3

CALIDAD & PUREZA ≥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

Descripción general

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.

Especificaciones

Sinónimos

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

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

Pubchem Sid

488186957

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488186957

Sonrisas canónicas

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

Isómeros SMILES

CC(=O)C1=CC(=CC(=C1)OC)OC

WGK Alemania

3

RTECS

KM5775717

Peso molecular

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
    • Clase Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Aryl ketones
            • Level7 Phenylketones
              • Level8 Alkyl-phenylketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: 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
• Descripción: 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

Objetivos asociados (humanos)

GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)

Discover Target: GLP1R

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Objetivos asociados (no humanos)

ampC Beta-lactamase AmpC (62480 Activities)

Discover Target: ampC

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Insoluble in water
• Índice de refracción: 1.5430
• Punto de inflamación (°F): 230 °F
• Punto de inflamación (°C): >110 °C
• Punto de ebullición (°C): 290.5°C
• Punto de fusión (°C): 33-34°C
• Peso molecular: 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

Preguntas frecuentes

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.