4-Iodobenzoic acid phenacyl ester

Base Information

• Chemical Name: 4-Iodobenzoic acid phenacyl ester
• CAS No.: 55153-29-2
• Molecular Formula: C₁₅H₁₁IO₃
• Molecular Weight: 366.155
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID10369372
• Nikkaji Number: J146.521J
• Wikidata: Q82156424
• Mol file: 55153-29-2.mol

Synonyms:phenacyl 4-iodobenzoate;4-Iodobenzoic acid phenacyl ester;55153-29-2;ZINC01041863;CCG-583;DTXSID10369372;Benzoic acid, 4-iodo-, 2-oxo-2-phenylethyl ester

Chemical Property of 4-Iodobenzoic acid phenacyl ester

Chemical Property:

• Boiling Point: 478.2±30.0 °C(Predicted)
• PSA: 43.37000
• Density: 1.625±0.06 g/cm3(Predicted)
• LogP: 3.33090
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 365.97529
• Heavy Atom Count: 19
• Complexity: 315

Purity/Quality:

99% ^*data from raw suppliers

4-IODOBENZOIC ACID PHENACYL ESTER 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)COC(=O)C2=CC=C(C=C2)I

Technology Process of 4-Iodobenzoic acid phenacyl ester

There total 2 articles about 4-Iodobenzoic acid phenacyl ester 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:

α-bromoacetophenone (70-11-1) → 4-iodo-benzoic acid phenacyl ester (55153-29-2)

Guidance literature:

With ethanol;

DOI:10.1021/ja01350a037

Reference yield:

4-iodobenzoic acid (619-58-9) + α-bromoacetophenone (70-11-1) → 4-iodo-benzoic acid phenacyl ester (55153-29-2)

Guidance literature:

With triethylamine; In acetone; at 30 ℃; Rate constant; Kinetics; Thermodynamic data;

DOI:10.1016/S0040-4020(01)90893-2

upstream raw materials:

4-iodobenzoic acid

α-bromoacetophenone

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