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

CAS: 39151-19-4 Cat. No.: D471019 분자식: C₁₀H₁₂O₃ 분자량: 180.2 EC 번호: 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

개요

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

동의어

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

사양 및 순도

≥98%

보관 조건

Store at 2-8°C

배송

Wet ice

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순수함

≥98%

이름과 식별자

• Pubchem Sid: 488186957
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488186957
• 정식 스마일: 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
• 이성체 SMILES: CC(=O)C1=CC(=CC(=C1)OC)OC
• WGK 독일: 3
• RTECS: KM5775717
• 분자량: 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
    • 분류 Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Aryl ketones
            • Level7 Phenylketones
              • Level8 Alkyl-phenylketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 분류: 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
• 설명: 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

관련 대상(인간)

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

관련 대상(비인간)

ampC Beta-lactamase AmpC (62480 Activities)

Discover Target: ampC

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

작용 메커니즘

화학 및 물리적 특성

• 용해성: Insoluble in water
• 굴절률: 1.5430
• 발화점(°F): 230 °F
• 발화점(°C): >110 °C
• 끓는점(°C): 290.5°C
• 녹는점(°C): 33-34°C
• 분자량: 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

자주 묻는 질문

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.