Pyrimidine-5-carboxaldehyde - ≥97% , CAS No.10070-92-5

CAS: 10070-92-5 Cat. No.: P123455 Molecular Weight: 108.1 EC Number: 631-168-9

GRADE & PURITY ≥97%

Synonyms

W-200631 | FREJAOSUHFGDBW-UHFFFAOYSA-N | AC-6955 | AKOS005144225 | 5-pyrimidinaldehyde | F8881-5907 | Pyrimidine-5-carboxaldehyde | 5-pyrimidinecarbaldehyde | EN300-65143 | pyrimidine 5-carboxaldehyde | BP-10257 | FT-0603722 | pyrimidine-5-aldehyde | SY00

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Overview

application：

Pyrimidine-5-carboxaldehyde is used in the preparation of (S)- and (R)-pyrimidyl alkanol by reacting with diisopropylzinc and (n-butyl)ethyl(n-hexyl)(n-propyl)methane.

Specifications

Synonyms

W-200631 | FREJAOSUHFGDBW-UHFFFAOYSA-N | AC-6955 | AKOS005144225 | 5-pyrimidinaldehyde | F8881-5907 | Pyrimidine-5-carboxaldehyde | 5-pyrimidinecarbaldehyde | EN300-65143 | pyrimidine 5-carboxaldehyde | BP-10257 | FT-0603722 | pyrimidine-5-aldehyde | SY00

Specifications & Purity

≥97%

Storage

Store at 2-8°C, Protected from light, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488193192
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488193192
• Canonical Smiles: C1=C(C=NC=N1)C=O
• IUPAC Name: pyrimidine-5-carbaldehyde
• InChIKey: FREJAOSUHFGDBW-UHFFFAOYSA-N
• INCHI: 1S/C5H4N2O/c8-3-5-1-6-4-7-2-5/h1-4H
• Isomeric SMILES: C1=C(C=NC=N1)C=O
• Molecular Weight: 108.1
• Reaxy-Rn: 506964
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=506964&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Aldehydes
          • Level6 Aryl-aldehydes

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Aldehydes
• Direct Parent: Aryl-aldehydes
• Alternative Parents: Pyrimidines and pyrimidine derivatives Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aryl-aldehyde - Pyrimidine - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aryl-aldehydes. These are compounds containing an aldehyde group directly attached to an aromatic 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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Air sensitive；Light sensitive
• Boil Point(°C): 80-82°C/4mmHg
• Melt Point(°C): 39-43°C
• Molecular Weight: 108.100 g/mol
• XLogP3: -0.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 108.032 Da
• Monoisotopic Mass: 108.032 Da
• Topological Polar Surface Area: 42.900 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 78.500
• 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