3-(3,4-Dimethoxyphenyl)propionic acid - ≥98% , CAS No.2107-70-2

CAS: 2107-70-2 Cat. No.: D101916 Formula: (CH₃O)₂C₆H₃CH₂CH₂CO₂H Peso molecolare: 210.23 Beilstein Registry Number: 2696272 Numero EC: 218-288-3

GRADE & PURITY ≥98%

Synonyms

(3,4-DIMETHOXYPHENYL)PROPIONIC ACID | 3,4-Dimethoxyhydrocinnamic acid | 3,4-Dimethoxy-Hydrocinnamic Acid | KUC108681N | Q27095035 | STR05305 | 3-(3',4'-dimethoxyphenyl)propanoic acid | 3-(3,4-Dimethoxyphenyl)propanoic acid | HMS2761I14 | W-107576 | Z57396

Storage

Room temperature

Shipped In

Normal

Panoramica

3-(3,4-Dimethoxyphenyl)propionic acid (3,4-Dimethoxyhydrocinnamic acid) forms complex with copper (II).
3-(3,4-Dimethoxyphenyl)propionic acid was used in screening of short-chain fatty acid derivatives for the ability to induce γ globin gene expression in reporter assays and erythropoiesis in vivo.

Specifications

Sinonimi

(3,4-DIMETHOXYPHENYL)PROPIONIC ACID | 3,4-Dimethoxyhydrocinnamic acid | 3,4-Dimethoxy-Hydrocinnamic Acid | KUC108681N | Q27095035 | STR05305 | 3-(3',4'-dimethoxyphenyl)propanoic acid | 3-(3,4-Dimethoxyphenyl)propanoic acid | HMS2761I14 | W-107576 | Z57396

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

488185016

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488185016

Sorrisi canonici

COC1=C(C=C(C=C1)CCC(=O)O)OC

IUPAC Name

3-(3,4-dimethoxyphenyl)propanoic acid

InChIKey

LHHKQWQTBCTDQM-UHFFFAOYSA-N

INCHI

1S/C11H14O4/c1-14-9-5-3-8(4-6-11(12)13)7-10(9)15-2/h3,5,7H,4,6H2,1-2H3,(H,12,13)

Isomeri SMILES

COC1=C(C=C(C=C1)CCC(=O)O)OC

WGK Germania

3

Peso molecolare

210.23

Beilstein

2696272

Reaxy-Rn

2696272

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2696272&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Classe Phenylpropanoic acids

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Classe: Phenylpropanoic acids
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpropanoic acids
• Alternative Parents: Dimethoxybenzenes Phenoxy compounds Anisoles Alkyl aryl ethers Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 3-phenylpropanoic-acid - Dimethoxybenzene - O-dimethoxybenzene - Anisole - Phenol ether - Phenoxy compound - Methoxybenzene - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Organooxygen compound - Carbonyl group - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as phenylpropanoic acids. These are compounds with a structure containing a benzene ring conjugated to a propanoic acid.
• External Descriptors: monocarboxylic acid - dimethoxybenzene

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

Obiettivi associati (umani)

U-937 (7138 Activities)

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Jurkat (10389 Activities)

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PBMC (10003 Activities)

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POLI Tchem DNA polymerase iota (116820 Activities)

Discover Target: POLI

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

CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

Discover Target: CBX1

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

RAN Tchem GTP-binding nuclear protein Ran/Importin subunit beta-1/Snurportin-1 (21853 Activities)

Discover Target: RAN

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Obiettivi associati (non umani)

RBL-2H3 (1162 Activities)

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Soluble in Methanol
• Punto di fusione (°C): 96-97°C
• Peso molecolare: 210.230 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 210.089 Da
• Monoisotopic Mass: 210.089 Da
• Topological Polar Surface Area: 55.800 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 205.000
• 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

Domande frequenti

How should this product be stored?

Store at room temperature.

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 is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 2107-70-2, the molecular formula is C11H14O4, and the molecular weight is 210.23 g/mol. InChIKey LHHKQWQTBCTDQM-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.