2-Phenoxybenzaldehyde - ≥96%(GC) , CAS No.19434-34-5

CAS: 19434-34-5 Cat. No.: P404898 분자식: C₁₃H₁₀O₂ 분자량: 198.22 EC 번호: 243-061-0 PubChem CID: 88060

GRADE & PURITY ≥96%(GC)

Synonyms

SCHEMBL95238 | phenoxybenzaldehyde | 2-phenoxybenzaldehyde | EINECS 243-061-0 | (e)-3-(4-chlorophenyl)-n-(3-methoxyphenyl)acrylamide | 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-4-(phenylmethyl)-5-(3-pyridinyl)- | W-111731 | Boc-(R)-3-Amino-3-(2-hydroxy-phen

Storage

Argon charged,Room temperature

개요

2-Phenoxybenzaldehyde is used as a reagent in the synthesis of chiral 1,3,4-oxadiazol-2-ones as potent and highly selective FAAH inhibitors. Also used as a reagent in the synthesis of [4-(phenoxy)pyridin-3-yl]methylamines; a new class of selective noradrenaline reuptake inhibitors (NRI).

Specifications

동의어

SCHEMBL95238 | phenoxybenzaldehyde | 2-phenoxybenzaldehyde | EINECS 243-061-0 | (e)-3-(4-chlorophenyl)-n-(3-methoxyphenyl)acrylamide | 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-4-(phenylmethyl)-5-(3-pyridinyl)- | W-111731 | Boc-(R)-3-Amino-3-(2-hydroxy-phen

사양 및 순도

≥96%(GC)

보관 조건

Argon charged,Room temperature

순수함

≥96%(GC)

이름과 식별자

• Pubchem Sid: 488186469
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488186469
• 정식 스마일: C1=CC=C(C=C1)OC2=CC=CC=C2C=O
• IUPAC Name: 2-phenoxybenzaldehyde
• InChIKey: IMPIIVKYTNMBCD-UHFFFAOYSA-N
• INCHI: 1S/C13H10O2/c14-10-11-6-4-5-9-13(11)15-12-7-2-1-3-8-12/h1-10H
• 이성체 SMILES: C1=CC=C(C=C1)OC2=CC=CC=C2C=O
• PubChem CID: 88060
• 분자량: 198.22
• Reaxy-Rn: 2965808

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Benzene and substituted derivatives
      • Subclass Diphenylethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Diphenylethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylethers
• Alternative Parents: Diarylethers Phenoxy compounds Phenol ethers Benzoyl derivatives Benzaldehydes Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylether - Diaryl ether - Phenoxy compound - Phenol ether - Benzoyl - Benzaldehyde - Aryl-aldehyde - Ether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aldehyde - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as diphenylethers. These are aromatic compounds containing two benzene rings linked to each other through an ether 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

관련 대상(인간)

SLC6A1 Tclin GABA transporter 1 (308 Activities)

Discover Target: SLC6A1

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

GAA Tclin Lysosomal alpha-glucosidase (35701 Activities)

Discover Target: GAA

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

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

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

LMNA Tbio Prelamin-A/C (36751 Activities)

Discover Target: LMNA

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

KMT2A Tchem Histone-lysine N-methyltransferase MLL (17327 Activities)

Discover Target: KMT2A

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

작용 메커니즘

화학 및 물리적 특성

• 용해성: Very slightly soluble in water.
• 감도: Air Sensitive
• 굴절률: 1.6
• 발화점(°C): 132 °C
• 끓는점(°C): 153 °C/1 mmHg
• 분자량: 198.220 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 198.068 Da
• Monoisotopic Mass: 198.068 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 197.000
• 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