2,4,6-Trimethoxybenzaldehyde - ≥98% , CAS No.830-79-5

CAS: 830-79-5 Cat. No.: T109776 Molecular Weight: 196.2 Beilstein Registry Number: 1956051 EC Number: 212-598-2 PubChem CID: 70019

GRADE & PURITY ≥98%

Synonyms

BBL027431 | SY015346 | DTXSID70232119 | ZB1376 | STL373484 | AB-131/40897219 | F0001-2130 | BCP33590 | 2,4,6-Trimethoxybenzaldehyde, 98% | MFCD00003313 | W-104152 | Benzaldehyde, 2,4,6-trimethoxy- | Z56899127 | A840488 | A840500 | AC-12837 | FT-0633009 |

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

Product Application：

2,4,6-Trimethoxybenzaldehyde was used in the preparation and characterization of three RNA-specific fluorescent probes and their use in live cell imaging. It was used as starting reagent for the regioselective synthesis of new (+/-)-8-alkyl-5,7-dihydroxy-4-(4-hydroxyphenyl)-3,4-dihydrocoumarins.

Specifications

Synonyms

BBL027431 | SY015346 | DTXSID70232119 | ZB1376 | STL373484 | AB-131/40897219 | F0001-2130 | BCP33590 | 2, 4, 6-Trimethoxybenzaldehyde, 98% | MFCD00003313 | W-104152 | Benzaldehyde, 2, 4, 6-trimethoxy- | Z56899127 | A840488 | A840500 | AC-12837 | FT-0633009 |

Specifications & Purity

≥98%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488184457
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184457
• Canonical Smiles: COC1=CC(=C(C(=C1)OC)C=O)OC
• IUPAC Name: 2,4,6-trimethoxybenzaldehyde
• InChIKey: CRBZVDLXAIFERF-UHFFFAOYSA-N
• INCHI: 1S/C10H12O4/c1-12-7-4-9(13-2)8(6-11)10(5-7)14-3/h4-6H,1-3H3
• Isomeric SMILES: COC1=CC(=C(C(=C1)OC)C=O)OC
• WGK Germany: 3
• RTECS: CU8460200
• PubChem CID: 70019
• Molecular Weight: 196.2
• Beilstein: 1956051
• Reaxy-Rn: 1956051

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzoyl derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoyl derivatives
• Alternative Parents: Phenoxy compounds Methoxybenzenes Benzaldehydes Anisoles Alkyl aryl ethers Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Methoxybenzene - Phenol ether - Benzoyl - Benzaldehyde - Anisole - Aryl-aldehyde - Alkyl aryl ether - Ether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aldehyde - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzoyl derivatives. These are organic compounds containing an acyl moiety of benzoic acid with the formula (C6H5CO-).
• 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

• Solubility: Insoluble in water.
• Sensitivity: Air Sensitive
• Melt Point(°C): 120°C
• Molecular Weight: 196.200 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 196.074 Da
• Monoisotopic Mass: 196.074 Da
• Topological Polar Surface Area: 44.800 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 169.000
• 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. Jia Tian, Tao Chen, Baoxuan Huang, Yang Liu, Chao Wang, Zepeng Cui, Hao Xu, Qiang Li, Weian Zhang, Qianqian Liang.  (2022)  Inflammation specific environment activated methotrexate-loaded nanomedicine to treat rheumatoid arthritis by immune environment reconstruction.  Acta Biomaterialia,      [PMID:36513249] [10.1016/j.actbio.2022.12.007]

2. Hui Chen, Zhongyin Chen, Ying Kuang, Shuang Li, Min Zhang, Jia Liu, Zhengguang Sun, Bingbing Jiang, Xueqin Chen, Cao Li.  (2018)  Stepwise-acid-active organic/inorganic hybrid drug delivery system for cancer therapy.  COLLOIDS AND SURFACES B-BIOINTERFACES,      [PMID:29704741] [10.1016/j.colsurfb.2018.04.038]