4-Phthalimidobutyl benzoate

Base Information

• Chemical Name: 4-Phthalimidobutyl benzoate
• CAS No.: 102022-69-5
• Molecular Formula: C₁₉H₁₇NO₄
• Molecular Weight: 323.348
• European Community (EC) Number: 667-452-4
• Nikkaji Number: J1.053.075J
• Mol file: 102022-69-5.mol

Synonyms:102022-69-5;4-(1,3-Dioxoisoindolin-2-yl)butyl benzoate;4-PHTHALIMIDOBUTYL BENZOATE;4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)butyl benzoate;AKOS024335432

Chemical Property of 4-Phthalimidobutyl benzoate

Chemical Property:

• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 323.11575802
• Heavy Atom Count: 24
• Complexity: 460

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)OCCCCN2C(=O)C3=CC=CC=C3C2=O

Technology Process of 4-Phthalimidobutyl benzoate

There total 3 articles about 4-Phthalimidobutyl benzoate 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: 46.0%

benzoic acid 4-(1-oxo-1,3-dihydro-isoindol-2-yl)-butyl ester → benzoic acid-(4-phthalimido-butyl ester) (102022-69-5)

Guidance literature:

With Celite; 3-chloro-benzenecarboperoxoic acid; 2,2'-bipyridinium chlorochromate; In dichloromethane;

DOI:10.1016/S0040-4039(99)00152-5

Reference yield:

Benzoic acid 4-(1-oxo-3-phenylsulfanyl-1,3-dihydro-isoindol-2-yl)-butyl ester (206977-20-0) → benzoic acid-(4-phthalimido-butyl ester) (102022-69-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 66 percent / Raney nickel / ethanol; H₂O / 24 h

2: 46 percent / 2,2'-bipyridinium chlorochromate; m-chloroperbenzoic acid; Celite / CH₂Cl₂

With Celite; 3-chloro-benzenecarboperoxoic acid; 2,2'-bipyridinium chlorochromate; nickel; In ethanol; dichloromethane; water; 1: Reduction / 2: Oxidation;

DOI:10.1016/S0040-4039(99)00152-5

Reference yield:

phthalimide (136918-14-4,85-41-6) → benzoic acid-(4-phthalimido-butyl ester) (102022-69-5)

Guidance literature:

With potassium carbonate; N,N-dimethyl-formamide; Beim Erhitzen des Reaktionsgemisches mit Benzoesaeure-<4-chlor-butylester> und Kaliumbromid;

upstream raw materials:

phthalimide

Benzoic acid 4-(1-oxo-3-phenylsulfanyl-1,3-dihydro-isoindol-2-yl)-butyl ester