Methyl 3-Hydroxy-2-naphthoate - ≥98%(GC) , CAS No.883-99-8

CAS: 883-99-8 Cat. No.: M157819 Formule: C₁₂H₁₀O₃ Poids moléculaire: 202.21 Beilstein Registry Number: 1074530 Numéro CE: 212-936-9

GRADE & PURITY ≥98%(GC)

Synonyms

.beta.-Hydroxynaphthoic acid methyl ester | SR-01000319748-1 | STK331041 | 2-HYDROXYNAPHTHALENE-3-CARBOXYLIC ACID METHYL ESTER | 3-carbomethoxy-2-naphthol | F2182-0163 | BBL000072 | AKOS000121247 | Bismuth hydroxide nitrate oxide (Bi5(OH)9(NO3)4O) | Gluco

Storage

Room temperature

Shipped In

Normal

Vue d’ensemble

Methyl 3-hydroxy-2-naphthoate undergoes asymmetric oxidative coupling using mono-N-alkylated octahydrobinaphthyl-2,2′-diamine chiral ligands.

Specifications

Synonymes

.beta.-Hydroxynaphthoic acid methyl ester | SR-01000319748-1 | STK331041 | 2-HYDROXYNAPHTHALENE-3-CARBOXYLIC ACID METHYL ESTER | 3-carbomethoxy-2-naphthol | F2182-0163 | BBL000072 | AKOS000121247 | Bismuth hydroxide nitrate oxide (Bi5(OH)9(NO3)4O) | Gluco

Spécifications et pureté

≥98%(GC)

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%(GC)

Noms et identifiants

Pubchem Sid

488184492

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488184492

Sourires canoniques

COC(=O)C1=CC2=CC=CC=C2C=C1O

IUPAC Name

methyl 3-hydroxynaphthalene-2-carboxylate

InChIKey

YVVBECLPRBAATK-UHFFFAOYSA-N

INCHI

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

Isomères SMILES

COC(=O)C1=CC2=CC=CC=C2C=C1O

WGK Allemagne

2

Poids moléculaire

202.21

Beilstein

1074530

Reaxy-Rn

1074526

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1074526&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: Naphthols and derivatives Salicylic acid and derivatives 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Methyl esters Monocarboxylic acids and derivatives Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: 2-naphthalenecarboxylic acid - 2-naphthol - Salicylic acid or derivatives - 1-hydroxy-2-unsubstituted benzenoid - Vinylogous acid - Methyl ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homopolycyclic compound
• Description: 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

Propriétés chimiques et physiques

• Point d'ébullition (°C): 205-207 °C
• Point de fusion (°C): 72-76°C
• Poids moléculaire: 202.210 g/mol
• XLogP3: 3.200
• 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

Foire aux questions

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

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 883-99-8, the molecular formula is C12H10O3, and the molecular weight is 202.21 g/mol. InChIKey YVVBECLPRBAATK-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.