2,6-Diethoxybenzoyl chloride

Base Information

• Chemical Name: 2,6-Diethoxybenzoyl chloride
• CAS No.: 480439-42-7
• Molecular Formula: C11H13ClO3
• Molecular Weight: 228.675
• DSSTox Substance ID: DTXSID00539224
• Wikidata: Q82414924
• Mol file: 480439-42-7.mol

Synonyms:2,6-DIETHOXYBENZOYL CHLORIDE;480439-42-7;SCHEMBL11516666;DTXSID00539224;AKOS015889045

Chemical Property of 2,6-Diethoxybenzoyl chloride

Chemical Property:

• PSA: 35.53000
• LogP: 2.86300
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 228.0553220
• Heavy Atom Count: 15
• Complexity: 194

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1=C(C(=CC=C1)OCC)C(=O)Cl

Technology Process of 2,6-Diethoxybenzoyl chloride

There total 3 articles about 2,6-Diethoxybenzoyl 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:

2,6-diethoxybenzoic acid (82935-36-2) → 2,6-Diethoxy-benzoyl chloride (480439-42-7)

Guidance literature:

With thionyl chloride; In toluene; for 0.5h; Heating;

DOI:10.1021/jm00353a003

Reference yield:

2,6-Dihydroxybenzoic acid (303-07-1) → 2,6-Diethoxy-benzoyl chloride (480439-42-7)

Guidance literature:

Multi-step reaction with 3 steps

1: K₂CO₃, NaI / dimethylformamide / 24 h / 140 °C

2: water, KOH / butan-1-ol / 4 h / Heating

3: SOCl₂ / toluene / 0.5 h / Heating

With potassium hydroxide; thionyl chloride; water; potassium carbonate; sodium iodide; In N,N-dimethyl-formamide; toluene; butan-1-ol;

DOI:10.1021/jm00353a003

Reference yield:

2,6-Diaethoxy-benzoesaeure-aethylester (92157-15-8) → 2,6-Diethoxy-benzoyl chloride (480439-42-7)

Guidance literature:

Multi-step reaction with 2 steps

1: water, KOH / butan-1-ol / 4 h / Heating

2: SOCl₂ / toluene / 0.5 h / Heating

With potassium hydroxide; thionyl chloride; water; In toluene; butan-1-ol;

DOI:10.1021/jm00353a003

upstream raw materials:

2,6-diethoxybenzoic acid

2,6-Dihydroxybenzoic acid

2,6-Diaethoxy-benzoesaeure-aethylester

Refernces

• 1、 Ferranti,Roberti,Garuti,Giovanninetti,Mannini Palenzona. "Antiviral agents. Part 25: 2-(polysubstituted benzoylamino)-3,5-dichloro-pyridines with antiherpetic activity". . p. 359 - 360. Retrieved 2007/10/02.