Dimethyl 3,4-dihydroxypyrrole-2,5-dicarboxylate - ≥97% , CAS No.1632-19-5

CAS: 1632-19-5 Cat. No.: D181900 Peso molecular: 215.2

GRADE & PURITY ≥97%

Synonyms

?DIMETHYL 3,4-DIHYDROXYPYRROLE-2,5-DICARBOXYLATE | SR-01000639057-1 | DIMETHYL 3,4-DIHYDROXYPYRROLE-2,5-DICARBOXYLATE | MFCD00276587 | SB62272 | AMY10220 | BP-12434 | AS-72454 | BRD-K42926222-001-02-9 | CCG-49610 | AKOS022181634 | Oprea1_640538 | HMS1530K

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

?DIMETHYL 3, 4-DIHYDROXYPYRROLE-2, 5-DICARBOXYLATE | SR-01000639057-1 | DIMETHYL 3, 4-DIHYDROXYPYRROLE-2, 5-DICARBOXYLATE | MFCD00276587 | SB62272 | AMY10220 | BP-12434 | AS-72454 | BRD-K42926222-001-02-9 | CCG-49610 | AKOS022181634 | Oprea1_640538 | HMS1530K

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 504760949
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504760949
• Sonrisas canónicas: COC(=O)C1=C(C(=C(N1)C(=O)OC)O)O
• IUPAC Name: dimethyl 3,4-dihydroxy-1H-pyrrole-2,5-dicarboxylate
• InChIKey: QCPBGHYMHYWRHG-UHFFFAOYSA-N
• INCHI: 1S/C8H9NO6/c1-14-7(12)3-5(10)6(11)4(9-3)8(13)15-2/h9-11H,1-2H3
• Isómeros SMILES: COC(=O)C1=C(C(=C(N1)C(=O)OC)O)O
• Peso molecular: 215.2
• Reaxy-Rn: 230350
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=230350&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyrroles
      • Subclass Pyrrole carboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyrroles
• Subclass: Pyrrole carboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrrole carboxylic acids and derivatives
• Alternative Parents: Substituted pyrroles Dicarboxylic acids and derivatives Vinylogous acids Methyl esters Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyrrole-2-carboxylic acid or derivatives - Dicarboxylic acid or derivatives - Substituted pyrrole - Heteroaromatic compound - Vinylogous acid - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pyrrole carboxylic acids and derivatives. These are heterocyclic compounds containing a pyrrole ring bearing a carboxyl group (or a derivative thereof).
• 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

Propiedades químicas y físicas

• Punto de inflamación (°F): 230°F
• Punto de inflamación (°C): >110°C
• Punto de ebullición (°C): 268-272°C
• Punto de fusión (°C): 209-212°C
• Peso molecular: 215.160 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 215.043 Da
• Monoisotopic Mass: 215.043 Da
• Topological Polar Surface Area: 109.000 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 242.000
• 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