3′,4′-Dimethoxy-biphenyl-4-carbaldehyde - ≥97% , CAS No.640769-65-9

CAS: 640769-65-9 Cat. No.: D352551 Molecular Weight: 242.274 EC Number: 673-283-7

GRADE & PURITY ≥97%

Synonyms

3',4'-Dimethoxy-[1,1'-biphenyl]-4-carbaldehyde | 3',4'-Dimethoxy[1,1'-biphenyl]-4-carbaldehyde | FT-0644809 | SCHEMBL7218179 | A834633 | DTXSID20374311 | 3',4'-Dimethoxy-biphenyl-4-carbaldehyde | 3',4'-dimethoxybiphenyl-4-carbaldehyde | E89684 | Sertralin

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

3', 4'-Dimethoxy-[1, 1'-biphenyl]-4-carbaldehyde | 3', 4'-Dimethoxy[1, 1'-biphenyl]-4-carbaldehyde | FT-0644809 | SCHEMBL7218179 | A834633 | DTXSID20374311 | 3', 4'-Dimethoxy-biphenyl-4-carbaldehyde | 3', 4'-dimethoxybiphenyl-4-carbaldehyde | E89684 | Sertralin

Specifications & Purity

≥97%

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

≥97%

Names and Identifiers

• Pubchem Sid: 504761528
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504761528
• Canonical Smiles: COC1=C(C=C(C=C1)C2=CC=C(C=C2)C=O)OC
• IUPAC Name: 4-(3,4-dimethoxyphenyl)benzaldehyde
• InChIKey: GLQPTZAAUROJMO-UHFFFAOYSA-N
• INCHI: 1S/C15H14O3/c1-17-14-8-7-13(9-15(14)18-2)12-5-3-11(10-16)4-6-12/h3-10H,1-2H3
• Isomeric SMILES: COC1=C(C=C(C=C1)C2=CC=C(C=C2)C=O)OC
• Molecular Weight: 242.274
• Reaxy-Rn: 14309432
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14309432&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Biphenyls and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Biphenyls and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Biphenyls and derivatives
• Alternative Parents: Dimethoxybenzenes Phenoxy compounds Benzoyl derivatives Benzaldehydes Anisoles Alkyl aryl ethers Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Biphenyl - Dimethoxybenzene - O-dimethoxybenzene - Anisole - Benzaldehyde - Benzoyl - Phenoxy compound - Phenol ether - Methoxybenzene - Alkyl aryl ether - Aryl-aldehyde - Ether - Organooxygen compound - Organic oxygen compound - Organic oxide - Aldehyde - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.
• 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

Chemical and Physical Properties

• Molecular Weight: 242.270 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 242.094 Da
• Monoisotopic Mass: 242.094 Da
• Topological Polar Surface Area: 35.500 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 258.000
• 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

References

1. Jun Luo, Chengcheng Ding, Yonghai Gan, Yang Guo, Yibin Cui, Cheng Sun.  (2022)  A dual-MOFs (Fe and Co)/g-C3N4 heterostructure composite for high-efficiently activating peroxymonosulfate in degradation of sertraline in water.  SEPARATION AND PURIFICATION TECHNOLOGY,      [PMID:] [10.1016/j.seppur.2022.122701]

2. Libin Wan, Bin Lin, Ruiqin Zhu, Chuixiu Huang, Stig Pedersen-Bjergaard, Xiantao Shen.  (2019)  Liquid-Phase Microextraction or Electromembrane Extraction?.  ANALYTICAL CHEMISTRY,      [PMID:31141346] [10.1021/acs.analchem.9b00946]

3. Chen Zhao-Di, Chen Wen-Qiang, Wang Zhi-Yuan, Cao Dan-Ni, Wu Ning, Li Jin.  (2018)  Antidepressant-like action of agmatine in the acute and sub-acute mouse models of depression: a receptor mechanism study.  METABOLIC BRAIN DISEASE,  33  (5): (1721-1731).  [PMID:30019267] [10.1007/s11011-018-0280-9]

4. Hang Mei, Huajing Liu, Qianqian Shang, Ying Dong, Stig Pedersen-Bjergaard, Chuixiu Huang, Xiantao Shen.  (2021)  Organic-solvent-free electromembrane extraction based on semi-interpenetrating polymer networks.  GREEN CHEMISTRY,  23  (4): (1782-1793).  [PMID:] [10.1039/D1GC00148E]