4,4′,4′′-Trimethoxytrityl chloride - technical grade , CAS No.49757-42-8

CAS: 49757-42-8 Cat. No.: T476899 Molecular Weight: 368.85 EC Number: 256-474-6 PubChem CID: 630505

GRADE & PURITY Technical grade

Synonyms

1-(Chloro[bis(4-methoxyphenyl)]methyl)-4-methoxybenzene # | FT-0623707 | MFCD00008408 | C22H21ClO3 | 4,4',4''-Trimethoxytrityl chloride | 4,4',4'-Trimethoxytrityl chloride | Benzene, 1,1',1''-(chloromethylidyne)tris(4-methoxy- | 4,4',4''-(Chloromethanetri

Storage

Room temperature

Overview

Description

4,4′,4″-Trimethoxytrityl chloride can be used:In one of the key synthetic steps for the preparation of two phosphoramidite building blocks.To prepare protein tagging molecule (3-[tris(4-methoxyphenyl)methylsulfanyl]propanoic acid by reacting with thioacetic acid.To prepare C-2 amino trimethoxytrityl substituted nucleoside, which is a key intermediate for the synthesis of nucleoside based capping agent.

Specifications

Synonyms

1-(Chloro[bis(4-methoxyphenyl)]methyl)-4-methoxybenzene # | FT-0623707 | MFCD00008408 | C22H21ClO3 | 4, 4', 4''-Trimethoxytrityl chloride | 4, 4', 4'-Trimethoxytrityl chloride | Benzene, 1, 1', 1''-(chloromethylidyne)tris(4-methoxy- | 4, 4', 4''-(Chloromethanetri

Specifications & Purity

technical grade

Storage

Room temperature

Grade

Technical grade

Names and Identifiers

• Canonical Smiles: COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)(C3=CC=C(C=C3)OC)Cl
• IUPAC Name: 1-[chloro-bis(4-methoxyphenyl)methyl]-4-methoxybenzene
• InChIKey: OBFCMKPFILBCSQ-UHFFFAOYSA-N
• INCHI: 1S/C22H21ClO3/c1-24-19-10-4-16(5-11-19)22(23,17-6-12-20(25-2)13-7-17)18-8-14-21(26-3)15-9-18/h4-15H,1-3H3
• Isomeric SMILES: COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)(C3=CC=C(C=C3)OC)Cl
• WGK Germany: 3
• PubChem CID: 630505
• Molecular Weight: 368.85

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Triphenyl compounds

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Triphenyl compounds
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Triphenyl compounds
• Alternative Parents: Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Organochlorides Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Triphenyl compound - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Ether - Organic oxygen compound - Organohalogen compound - Organochloride - Organooxygen compound - Hydrocarbon derivative - Alkyl halide - Alkyl chloride - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as triphenyl compounds. These are aromatic compounds containing a triphenyl moiety.
• 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

• Melt Point(°C): 150℃
• Molecular Weight: 368.900 g/mol
• XLogP3: 5.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 368.118 Da
• Monoisotopic Mass: 368.118 Da
• Topological Polar Surface Area: 27.700 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 346.000
• 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