3-Methoxy-2-naphthoic Acid - ≥98% , CAS No.883-62-5

CAS: 883-62-5 Cat. No.: M158590 Formula: C₁₂H₁₀O₃ Peso molecolare: 202.21 Numero EC: 212-932-7

GRADE & PURITY ≥98%

Synonyms

3-methoxy-naphthaline-2-carboxylic acid | NSC36216 | 3-Methoxy-naphthalene-2-carboxylic acid | 3-methoxynaphthalene-2-carboxylic acid | AML0026 | UNII-PK966S8655 | 2-Naphthalenecarboxylic acid, 3-methoxy- | DTXSID9061259 | 2-Naphthoic acid, 3-methoxy- | 3

Storage

Room temperature

Shipped In

Normal

Panoramica

3-Methoxy-2-naphthoic acid is a naphthoic acid derivative. 3-Methoxy-2-naphthoic acid can be prepared from 3-hydroxy-2-naphthoic acid, via methylation. It undergoes reduction under the following reaction conditions: · in the presence of Li and NH4Cl to afford 1,2,3,4-tetrahydro-2-naphthoic acid · by using Li, NH4Cl and anhydrous FeCl3 to afford 3-methoxy-1, 2-dihydro-2-naphthoic acid · in anhydrous ether, liquid ammonia, lithium wire and anhydrous ethanol to afford 1,2,3,4-tetrahydro-2-naphthoic acid

Specifications

Sinonimi

3-methoxy-naphthaline-2-carboxylic acid | NSC36216 | 3-Methoxy-naphthalene-2-carboxylic acid | 3-methoxynaphthalene-2-carboxylic acid | AML0026 | UNII-PK966S8655 | 2-Naphthalenecarboxylic acid, 3-methoxy- | DTXSID9061259 | 2-Naphthoic acid, 3-methoxy- | 3

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

488184491

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488184491

Sorrisi canonici

COC1=CC2=CC=CC=C2C=C1C(=O)O

IUPAC Name

3-methoxynaphthalene-2-carboxylic acid

InChIKey

RTBQQRFTCVDODF-UHFFFAOYSA-N

INCHI

1S/C12H10O3/c1-15-11-7-9-5-3-2-4-8(9)6-10(11)12(13)14/h2-7H,1H3,(H,13,14)

Isomeri SMILES

COC1=CC2=CC=CC=C2C=C1C(=O)O

WGK Germania

3

Peso molecolare

202.21

Reaxy-Rn

2107917

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2107917&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Naphthalenes
      • Subclass Naphthalenecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Naphthalenes
• Subclass: Naphthalenecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthalenecarboxylic acids
• Alternative Parents: O-methoxybenzoic acids and derivatives Anisoles Alkyl aryl ethers Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: 2-naphthalenecarboxylic acid - O-methoxybenzoic acid or derivatives - Anisole - Alkyl aryl ether - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homopolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as naphthalenecarboxylic acids. These are compounds containing a naphthalene moiety, which bears a carboxylic acid group one or more positions. Naphthalene is a bicyclic compound that is made up of two fused benzene ring.
• 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

Obiettivi associati (umani)

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

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

KDM4E Tchem Lysine-specific demethylase 4D-like (40243 Activities)

Discover Target: KDM4E

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

HPGD Tchem 15-hydroxyprostaglandin dehydrogenase [NAD+] (24926 Activities)

Discover Target: HPGD

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

Obiettivi associati (non umani)

Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)

Discover Target: Txnrd1

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Soluble in Methanol
• Punto di fusione (°C): 131-136 °C
• Peso molecolare: 202.210 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 202.063 Da
• Monoisotopic Mass: 202.063 Da
• Topological Polar Surface Area: 46.500 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 239.000
• 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