2,3,6-Trimethoxybenzoyl chloride

Base Information

• Chemical Name: 2,3,6-Trimethoxybenzoyl chloride
• CAS No.: 58093-61-1
• Molecular Formula: C10H11ClO4
• Molecular Weight: 230.648
• DSSTox Substance ID: DTXSID80561285
• Wikidata: Q82445016
• Mol file: 58093-61-1.mol

Synonyms:2,3,6-Trimethoxybenzoyl chloride;58093-61-1;SCHEMBL11520794;DTXSID80561285

Chemical Property of 2,3,6-Trimethoxybenzoyl chloride

Chemical Property:

• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 230.0345865
• Heavy Atom Count: 15
• Complexity: 222

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C(=C(C=C1)OC)OC)C(=O)Cl

Technology Process of 2,3,6-Trimethoxybenzoyl chloride

There total 3 articles about 2,3,6-Trimethoxybenzoyl 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:

2,3,6-trimethoxybenzoic acid (60241-74-9) → 2,3,6-Trimethoxybenzoesaeurechlorid (58093-61-1)

Guidance literature:

With thionyl chloride;

Reference yield:

1,2,4-trimethoxy-benzene (135-77-3) → 2,3,6-Trimethoxybenzoesaeurechlorid (58093-61-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.) n-BuLi / 1.) THF, 20 deg C, 2.) Et₂O

2: SOCl₂, DMF / toluene / 1 h / 60 °C

With n-butyllithium; thionyl chloride; N,N-dimethyl-formamide; In toluene;

DOI:10.1021/jm00166a012

Reference yield:

1-(2,3,6-trimethoxy-phenyl)-ethanone (13909-60-9) → 2,3,6-Trimethoxybenzoesaeurechlorid (58093-61-1)

Guidance literature:

Multi-step reaction with 2 steps

1: aqueous NaClO

2: SOCl₂

With sodium hypochlorite; thionyl chloride;

upstream raw materials:

2,3,6-trimethoxybenzoic acid

1,2,4-trimethoxy-benzene

1-(2,3,6-trimethoxy-phenyl)-ethanone

Downstream raw materials:

2-Hydroxy-2',3,5',6-tetramethoxybenzophenon

N-(3,4-dihydro-6,7-methylenedioxy-1-naphthyl)-2,3,6-trimethoxy-N-methylbenzamide

7-decyl-3,2',3',6'-tetramethoxyflavone

7-decyl-3,2',3',6'-tetrahydroxyflavone