4,4',4''-Trimethoxytrityl chloride

Base Information

• Chemical Name: 4,4',4''-Trimethoxytrityl chloride
• CAS No.: 49757-42-8
• Molecular Formula: C22H21ClO3
• Molecular Weight: 368.86
• Hs Code.: 2909309090
• European Community (EC) Number: 256-474-6
• DSSTox Substance ID: DTXSID70198029
• Nikkaji Number: J331J
• Wikidata: Q72515235
• Mol file: 49757-42-8.mol

Synonyms:4,4',4''-Trimethoxytrityl chloride;49757-42-8;4,4',4''-(Chloromethanetriyl)tris(methoxybenzene);4,4',4"-Trimethoxytrityl chloride;1-[chloro-bis(4-methoxyphenyl)methyl]-4-methoxybenzene;C22H21ClO3;Benzene, 1,1',1''-(chloromethylidyne)tris[4-methoxy-;EINECS 256-474-6;Benzene, 1,1',1''-(chloromethylidyne)tris(4-methoxy-;SCHEMBL1975657;C22-H21-Cl-O3;DTXSID70198029;tris-(p-methoxyphenyl)chloromethane;MFCD00008408;AKOS015916314;BS-23186;CS-0186900;FT-0623707;D97431;A827840;4,4',4''-Trimethoxytrityl chloride, technical grade;1-(Chloro[bis(4-methoxyphenyl)]methyl)-4-methoxybenzene #

Chemical Property of 4,4',4''-Trimethoxytrityl chloride

Chemical Property:

• Melting Point: 146-148oC(lit.)
• Boiling Point: 497.8°Cat760mmHg
• Flash Point: 160.7°C
• PSA: 27.69000
• Density: 1.166g/cm³
• LogP: 5.24310
• Storage Temp.: Store at 0-5°C
• Sensitive.: Moisture Sensitive
• XLogP3: 5.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 368.1179222
• Heavy Atom Count: 26
• Complexity: 346

Purity/Quality:

97% ^*data from raw suppliers

4,4′,4′′-Trimethoxytrityl chloride technical grade ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)(C3=CC=C(C=C3)OC)Cl
• Uses: 4,4'',4''''-Trimethoxytrityl Chloride is used as a reagent in the formation of compounds with a Triphenylmethyl Motif; a motif that constitutes a family of anticancer drugs.

Technology Process of 4,4',4''-Trimethoxytrityl chloride

There total 10 articles about 4,4',4''-Trimethoxytrityl chloride which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 90.0%

tris(4-methoxyphenyl)methanol (3010-81-9) → 4,4',4''-trimethoxytrityl chloride (49757-42-8)

Guidance literature:

With acetyl chloride; In toluene; at 100 ℃; for 2h; Inert atmosphere;

DOI:10.1016/j.bmc.2018.05.049

Reference yield: 90.0%

Tris-(4-methoxy-phenyl)-methyl (28550-87-0) + C36H46Cl2FeN5O → C36H46ClFeN5O + 4,4',4''-trimethoxytrityl chloride (49757-42-8)

Guidance literature:

In tetrahydrofuran; toluene; at 23 ℃; for 1h; Inert atmosphere; Schlenk technique;

DOI:10.1021/jacs.0c00493

Reference yield:

1-bromo-4-methoxy-benzene (104-92-7) → 4,4',4''-trimethoxytrityl chloride (49757-42-8)

Guidance literature:

Multi-step reaction with 2 steps

2: CH₃COCl / benzene

With acetyl chloride; In benzene;

upstream raw materials:

tris(4-methoxyphenyl)methanol

acetyl chloride

1-bromo-4-methoxy-benzene

bis(p-methoxyphenyl)methanone

Downstream raw materials:

tris(4-methoxyphenyl)methanol

Tris-(4-methoxy-phenyl)-methyl

2-[Tris-(4-methoxy-phenyl)-methylsulfanyl]-ethylamine

1-{3-[Tris-(4-methoxy-phenyl)-methoxy]-propyl}-piperidine-3-carboxylic acid ethyl ester