3,4,5-Tris(dodecyloxy)benzoyl chloride

Base Information

• Chemical Name: 3,4,5-Tris(dodecyloxy)benzoyl chloride
• CAS No.: 117241-33-5
• Molecular Formula: C43H77ClO4
• Molecular Weight: 693.535
• DSSTox Substance ID: DTXSID00557226
• Nikkaji Number: J1.897.893H
• Wikidata: Q82439071
• Mol file: 117241-33-5.mol

Synonyms:3,4,5-TRIS(DODECYLOXY)BENZOYL CHLORIDE;117241-33-5;SCHEMBL5496420;DTXSID00557226;HPYWLOVESKFEQS-UHFFFAOYSA-N;3,4,5-tri(dodecan-1-yloxy)benzoyl chloride

Chemical Property of 3,4,5-Tris(dodecyloxy)benzoyl chloride

Chemical Property:

• XLogP3: 19.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 37
• Exact Mass: 692.5510386
• Heavy Atom Count: 48
• Complexity: 637

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCCCCCCCCCOC1=CC(=CC(=C1OCCCCCCCCCCCC)OCCCCCCCCCCCC)C(=O)Cl

Technology Process of 3,4,5-Tris(dodecyloxy)benzoyl chloride

There total 14 articles about 3,4,5-Tris(dodecyloxy)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: 100.0%

3,4,5-tridodecyloxy benzoic acid (117241-31-3) → 3,4,5-tris(dodecanyloxy)benzoyl chloride (117241-33-5)

Guidance literature:

With thionyl chloride; for 3h; Heating;

DOI:10.1002/chem.19970030220

Reference yield:

methyl galloate (99-24-1) → 3,4,5-tris(dodecanyloxy)benzoyl chloride (117241-33-5)

Guidance literature:

Multi-step reaction with 3 steps

1: K₂CO₃ / acetone / 72 h / Heating

2: SOCl₂ / 2 h / Heating

With thionyl chloride; potassium carbonate; In acetone;

DOI:10.1016/j.tetlet.2007.07.026

Reference yield:

1-dodecylbromide (143-15-7) → 3,4,5-tris(dodecanyloxy)benzoyl chloride (117241-33-5)

Guidance literature:

Multi-step reaction with 3 steps

1: K₂CO₃ / acetone / 72 h / Heating

2: SOCl₂ / 2 h / Heating

With thionyl chloride; potassium carbonate; In acetone;

DOI:10.1016/j.tetlet.2007.07.026

upstream raw materials:

3,4,5-tridodecyloxy benzoic acid

methyl galloate

1-dodecylbromide

methyl [3,4,5-tris(n-dodecan-1-yloxy)]benzoate

Downstream raw materials:

3,4,5-tris(dodecyloxy)benzaldehyde

3'-(3,4,5-tridodecyloxy)benzoylamino-2,2’-bipyridine-3-amine

3-Oxo-2-(3,4,5-tris-dodecyloxy-benzoyl)-butyric acid ethyl ester

N-[3,4,5-tris(n-dodecan-1-yloxy)benzoyl]-2-aminoethanol