2,4,5-Trimethoxybenzene-1-sulfonyl chloride

Base Information

• Chemical Name: 2,4,5-Trimethoxybenzene-1-sulfonyl chloride
• CAS No.: 85477-01-6
• Molecular Formula: C9H11ClO5S
• Molecular Weight: 266.702
• DSSTox Substance ID: DTXSID80525084
• Wikidata: Q82392415
• Mol file: 85477-01-6.mol

Synonyms:85477-01-6;2,4,5-Trimethoxybenzenesulfonyl chloride;2,4,5-Trimethoxybenzene-1-sulfonyl chloride;Benzenesulfonyl chloride, 2,4,5-trimethoxy-;MFCD21875818;SCHEMBL2496224;DTXSID80525084;LSFOYENWQJZHKY-UHFFFAOYSA-N;AKOS016360772;NS-04213;2,4,5-trimethoxy benzene sulfonyl chloride;CS-0238661;D85724;EN300-1990273

Chemical Property of 2,4,5-Trimethoxybenzene-1-sulfonyl chloride

Chemical Property:

• PSA: 70.21000
• LogP: 2.72070
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 266.0015723
• Heavy Atom Count: 16
• Complexity: 312

Purity/Quality:

99% ^*data from raw suppliers

2,4,5-Trimethoxybenzenesulfonylchloride 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=C(C=C1OC)S(=O)(=O)Cl)OC

Technology Process of 2,4,5-Trimethoxybenzene-1-sulfonyl chloride

There total 3 articles about 2,4,5-Trimethoxybenzene-1-sulfonyl 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: 26.0%

→ 2,4,5-trimethoxy-benzenesulfonyl chloride (85477-01-6) + calcium chloride (10043-52-4,14336-71-1)

Guidance literature:

Reference yield:

2,4,5-trimethoxyaniline (26510-91-8) → 2,4,5-trimethoxy-benzenesulfonyl chloride (85477-01-6)

Guidance literature:

With hydrogenchloride; sodium nitrite; In water;

Reference yield:

→ 2,4,5-trimethoxy-benzenesulfonyl chloride (85477-01-6)

Guidance literature:

DOI:10.1021/ja01870a047

upstream raw materials:

2,4,5-trimethoxyaniline