2-{[4-(Chloromethyl)phenyl]methyl}-1H-isoindole-1,3(2H)-dione

Base Information

• Chemical Name: 2-{[4-(Chloromethyl)phenyl]methyl}-1H-isoindole-1,3(2H)-dione
• CAS No.: 61895-53-2
• Molecular Formula: C16H12ClNO2
• Molecular Weight: 285.72500
• DSSTox Substance ID: DTXSID10489185
• Nikkaji Number: J3.022.114A
• Wikidata: Q82332314

Synonyms:61895-53-2;2-[[4-(chloromethyl)phenyl]methyl]isoindole-1,3-dione;2-{[4-(CHLOROMETHYL)PHENYL]METHYL}ISOINDOLE-1,3-DIONE;2-{[4-(Chloromethyl)phenyl]methyl}-1H-isoindole-1,3(2H)-dione;SCHEMBL9053599;DTXSID10489185

Chemical Property of 2-{[4-(Chloromethyl)phenyl]methyl}-1H-isoindole-1,3(2H)-dione

Chemical Property:

• PSA: 37.38000
• LogP: 3.15950
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 285.0556563
• Heavy Atom Count: 20
• Complexity: 366

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=O)N(C2=O)CC3=CC=C(C=C3)CCl

Technology Process of 2-{[4-(Chloromethyl)phenyl]methyl}-1H-isoindole-1,3(2H)-dione

There total 4 articles about 2-{[4-(Chloromethyl)phenyl]methyl}-1H-isoindole-1,3(2H)-dione 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: 75.0%

phthalimide (136918-14-4,85-41-6) + p-Xylylene dichloride (623-25-6) → 2-(4-chloromethyl-benzyl)-isoindole-1,3-dione (61895-53-2) + α,α-4-bis(1H-isoindol-1,3(2H)-dione)xylene (30391-55-0)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃;

DOI:10.1002/ardp.201300011

Reference yield: 41.0%

potassium phtalimide (1074-82-4) + p-Xylylene dichloride (623-25-6) → 2-(4-chloromethyl-benzyl)-isoindole-1,3-dione (61895-53-2)

Guidance literature:

In N,N-dimethyl-formamide; at 80 ℃; for 8h;

DOI:10.1080/00397910903013697

Reference yield:

→ 2-(4-chloromethyl-benzyl)-isoindole-1,3-dione (61895-53-2)

Guidance literature:

1,4-Bis-chlormethyl-benzol, Kaliumphthalimid;

DOI:10.1002/jps.2600651028

upstream raw materials:

potassium phtalimide

p-Xylylene dichloride

phthalimide

Downstream raw materials:

C₂₀H₁₈N₃O₂⁽¹⁺⁾*Cl^(1-)

BF₄^(1-)*C₂₀H₁₈N₃O₂⁽¹⁺⁾

BF₄^(1-)*C₁₂H₁₆N₃⁽¹⁺⁾

BF₄^(1-)*C₂₂H₃₃N₄O₃⁽¹⁺⁾

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