2,6-Lutidine-α2,3-diol - ≥99% , CAS No.42097-42-7

CAS: 42097-42-7 Cat. No.: L170275 Molecular Weight: 139.15 EC Number: 255-657-8

GRADE & PURITY ≥99%

Synonyms

2,6-Lutidine-?2,3-diol | PAGTXDLKXRBHFL-UHFFFAOYSA-N | 2-Hydroxymethyl-6-methyl-pyridin-3-ol | 2-Hydroxymethyl-6-methylpyridin-3-ol | EN300-69365 | 2,6-Lutidine- alpha 2,3-diol | 3-Hydroxy-6-methylpyridine-2-methanol | CHEBI:194822 | DTXSID80194931 | SB53

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

Product description：

2,6-Lutidine-α2,3-diol (3-Hydroxy-6-methyl-2-pyridinemethanol) on condensation with chlorides of carbamidophosphoric acids yields N-Substituted N′-[6-methyl-2-oxido-1,3,2-dioxaphosphinino(5,4,-b)pyridine-2-yl]urea. It forms organotin (IV) complexes on reaction with dimethyl-, diethyl- and dibutyltin (IV) oxide.

Application：

2,6-Lutidine-α2,3-diol (3-Hydroxy-6-methyl-2-pyridinemethanol) was used in the synthesis of:

(3-hydroxy-6-methylpyridin-2-yl)methyl pivaloate

triflate

(3-(allyloxy)-6-methylpyridin-2-yl)methanol

Specifications

Synonyms

2, 6-Lutidine-?2, 3-diol | PAGTXDLKXRBHFL-UHFFFAOYSA-N | 2-Hydroxymethyl-6-methyl-pyridin-3-ol | 2-Hydroxymethyl-6-methylpyridin-3-ol | EN300-69365 | 2, 6-Lutidine- alpha 2, 3-diol | 3-Hydroxy-6-methylpyridine-2-methanol | CHEBI:194822 | DTXSID80194931 | SB53

Specifications & Purity

≥99%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

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

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 488187831
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488187831
• Canonical Smiles: CC1=NC(=C(C=C1)O)CO
• IUPAC Name: 2-(hydroxymethyl)-6-methylpyridin-3-ol
• InChIKey: PAGTXDLKXRBHFL-UHFFFAOYSA-N
• INCHI: 1S/C7H9NO2/c1-5-2-3-7(10)6(4-9)8-5/h2-3,9-10H,4H2,1H3
• Isomeric SMILES: CC1=NC(=C(C=C1)O)CO
• WGK Germany: 3
• Molecular Weight: 139.15
• Reaxy-Rn: 120696
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=120696&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyridines and derivatives
      • Subclass Methylpyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyridines and derivatives
• Subclass: Methylpyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Methylpyridines
• Alternative Parents: Hydroxypyridines Heteroaromatic compounds Azacyclic compounds Primary alcohols Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Methylpyridine - Hydroxypyridine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Aromatic alcohol - Primary alcohol - Organooxygen compound - Organonitrogen compound - Alcohol - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as methylpyridines. These are organic compounds containing a pyridine ring substituted at one or more positions by a methyl group.
• 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

Associated Targets(Human)

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

GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)

Discover Target: GLP1R

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

Associated Targets(non-human)

Plasmodium falciparum (966862 Activities)

Explore this target

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

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 139.150 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 139.063 Da
• Monoisotopic Mass: 139.063 Da
• Topological Polar Surface Area: 53.400 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 108.000
• 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