2-ethoxy-6-pentadecyl-benzoyl Chloride

Base Information

• Chemical Name: 2-ethoxy-6-pentadecyl-benzoyl Chloride
• CAS No.: 485386-83-2
• Molecular Formula: C24H39ClO2
• Molecular Weight: 395.025
• DSSTox Substance ID: DTXSID40437351
• Wikidata: Q82252836
• Mol file: 485386-83-2.mol

Synonyms:2-ethoxy-6-pentadecyl-benzoyl Chloride;2-Ethoxy-6-pentadecylbenzoyl Chloride;485386-83-2;SCHEMBL2939773;DTXSID40437351;LWSRBDDNXXYSBA-UHFFFAOYSA-N

Chemical Property of 2-ethoxy-6-pentadecyl-benzoyl Chloride

Chemical Property:

• XLogP3: 10.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 17
• Exact Mass: 394.2638582
• Heavy Atom Count: 27
• Complexity: 358

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCC1=C(C(=CC=C1)OCC)C(=O)Cl

Technology Process of 2-ethoxy-6-pentadecyl-benzoyl Chloride

There total 3 articles about 2-ethoxy-6-pentadecyl-benzoyl 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-ethoxy-6-pentadecylbenzoic acid (485386-82-1) → 2-ethoxy-6-pentadecylbenzoic acid chloride (485386-83-2)

Guidance literature:

With thionyl chloride; N,N-dimethyl-formamide; In hexane; for 1h; Heating;

DOI:10.1021/jf0258050

Reference yield:

6-Pentadecylsalicylic Acid (16611-84-0) → 2-ethoxy-6-pentadecylbenzoic acid chloride (485386-83-2)

Guidance literature:

Multi-step reaction with 3 steps

1: 82 percent / K₂CO₃ / acetone / 3 h / Heating

2: 80 percent / tBuOK / dimethylsulfoxide / 2 h / 70 °C

3: SOCl₂; DMF / hexane / 1 h / Heating

With thionyl chloride; potassium tert-butylate; potassium carbonate; N,N-dimethyl-formamide; In hexane; dimethyl sulfoxide; acetone;

DOI:10.1021/jf0258050

Reference yield:

ethyl 2-methoxy-6-pentadecylbenzoate (485386-80-9) → 2-ethoxy-6-pentadecylbenzoic acid chloride (485386-83-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 80 percent / tBuOK / dimethylsulfoxide / 2 h / 70 °C

2: SOCl₂; DMF / hexane / 1 h / Heating

With thionyl chloride; potassium tert-butylate; N,N-dimethyl-formamide; In hexane; dimethyl sulfoxide;

DOI:10.1021/jf0258050

upstream raw materials:

2-ethoxy-6-pentadecylbenzoic acid

6-Pentadecylsalicylic Acid

ethyl 2-methoxy-6-pentadecylbenzoate

Downstream raw materials:

N-(4-cyano-3-trifluoromethyl-phenyl)-2-ethoxy-6-pentadecyl-benzamide

2-ethoxy-N-(4-methoxyphenyl)-6-pentadecylbenzamide

2-ethoxy-N-(4-methylphenyl)-6-pentadecylbenzamide

2-ethoxy-6-pentadecyl-N-[3-(trifluoromethyl)phenyl]benzamide