Dimethyl-5-hydroxyisophthalat - ≥98% , CAS No.13036-02-7

CAS: 13036-02-7 Cat. No.: D123158 Summenformel: C₁₀H₁₀O₅ Molekulargewicht: 210.18 Beilstein Registry Number: 2650120 EG-Nummer: 235-899-0

GRADE & PURITY ≥98%

Synonyms

EINECS 235-899-0 | 5-hydroxyisophthalic acid dimethylester | Dimethyl 5-hydroxybenzene-1,3-dicarboxylate | InChI=1/C10H10O5/c1-14-9(12)6-3-7(10(13)15-2)5-8(11)4-6/h3-5,11H,1-2H | J-200094 | DTXSID8065329 | 1,3-Benzenedicarboxylic acid, 5-hydroxy-, dimethy

Storage

Room temperature

Shipped In

Normal

Übersicht

Dimethyl-5-hydroxyisophthalat durchläuft eine basenkatalysierte nukleophile Oxiran-Ringöffnungsreaktion mit Allylglycidylether, um 5-substituierte Derivate der Isophthalsäure zu erhalten. Der Einfluss der dritten Komponente, d.h. einer Reihe von 1,ω-Alkandiolen, auf die Copolymerisationsreaktion von Dimethyl-5-hydroxyisophthalat mit Poly(ethylenglykol) wurde untersucht. Es wird über die Lipase-katalysierte Kondensationspolymerisation von Dimethyl-5-hydroxyisophthalat mit Polyethylenglykol berichtet.
Ein neuartiger, von Dimethyl-5-hydroxyisophthalat abgeleiteter Baustein wurde zur Herstellung von sterisch überfüllten Polyetherdendrons über O-Allylierung/Claisen-Umlagerungsreaktionen verwendet. Dimethyl-5-hydroxyisophthalat kann für die Herstellung von: - Bis(phebox)-Derivat des Cyclophosphazen - 5-{2-[2-(2-Methoxyethoxy)ethoxy]ethoxy}benzol-1,3-dicarbonsäuredimethylester - Fulleren-Derivat mit einer polaren Kopfgruppe vom Typ Triethylenglykol

Specifications

Synonyme

EINECS 235-899-0 | 5-hydroxyisophthalic acid dimethylester | Dimethyl 5-hydroxybenzene-1,3-dicarboxylate | InChI=1/C10H10O5/c1-14-9(12)6-3-7(10(13)15-2)5-8(11)4-6/h3-5,11H,1-2H | J-200094 | DTXSID8065329 | 1,3-Benzenedicarboxylic acid, 5-hydroxy-, dimethy

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

488186145

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488186145

Kanonisches Lächeln

COC(=O)C1=CC(=CC(=C1)O)C(=O)OC

IUPAC Name

dimethyl 5-hydroxybenzene-1,3-dicarboxylate

InChIKey

DOSDTCPDBPRFHQ-UHFFFAOYSA-N

INCHI

1S/C10H10O5/c1-14-9(12)6-3-7(10(13)15-2)5-8(11)4-6/h3-5,11H,1-2H3

Isomere SMILES

COC(=O)C1=CC(=CC(=C1)O)C(=O)OC

WGK Deutschland

3

Molekulargewicht

210.18

Beilstein

2650120

Reaxy-Rn

2650120

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2650120&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Ebene5 Phthalic acid and derivatives
          • Ebene6 Phthalate esters
            • Ebene7 m-Phthalate esters

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Phthalic acid and derivatives - Phthalate esters
• Direct Parent: m-Phthalate esters
• Alternative Parents: M-phthalic acid and derivatives m-Hydroxybenzoic acid esters Benzoyl derivatives 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Dicarboxylic acids and derivatives Methyl esters Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Meta-phthalic acid ester - Meta_phthalic_acid - M-hydroxybenzoic acid ester - Benzoate ester - Benzoyl - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Dicarboxylic acid or derivatives - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as m-phthalate esters. These are ester derivatives of m-phthalic acids, which are based on a benzene 1,3-dicarboxylic acid skeleton.
• 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in water.
• Schmelzpunkt (°C): 163.0-167.0°C
• Molekulargewicht: 210.180 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 210.053 Da
• Monoisotopic Mass: 210.053 Da
• Topological Polar Surface Area: 72.800 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 226.000
• 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

Häufig gestellte Fragen

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 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 13036-02-7, the molecular formula is C10H10O5, and the molecular weight is 210.18 g/mol. InChIKey DOSDTCPDBPRFHQ-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.