3-Chloro-4-(chloromethyl)-1-phenylpyrrolidin-2-one

Base Information

• Chemical Name: 3-Chloro-4-(chloromethyl)-1-phenylpyrrolidin-2-one
• CAS No.: 61213-20-5
• Molecular Formula: C₁₁H₁₁Cl₂NO
• Molecular Weight: 244.12
• DSSTox Substance ID: DTXSID00511000
• Mol file: 61213-20-5.mol

Synonyms:3-Chloro-4-(chloromethyl)-1-phenylpyrrolidin-2-one;61213-20-5;SCHEMBL10993570;DTXSID00511000

Chemical Property of 3-Chloro-4-(chloromethyl)-1-phenylpyrrolidin-2-one

Chemical Property:

• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 243.0217694
• Heavy Atom Count: 15
• Complexity: 241

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1C(C(C(=O)N1C2=CC=CC=C2)Cl)CCl

Technology Process of 3-Chloro-4-(chloromethyl)-1-phenylpyrrolidin-2-one

There total 2 articles about 3-Chloro-4-(chloromethyl)-1-phenylpyrrolidin-2-one 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:

N-allyl-α,α-dichloroacetanilide (39089-61-7) → 1-phenyl-3-chloro-4-chloromethyl-2-pyrrolidone (61213-20-5)

Guidance literature:

With Cp*RuCl₂PPh₃; magnesium; In ⁽²⁾H₈-toluene; at 60 ℃; for 24h; optical yield given as %de; diastereoselective reaction;

DOI:10.1002/ejic.201000388

Reference yield:

→ 1-phenyl-3-chloro-4-chloromethyl-2-pyrrolidone (61213-20-5)

Guidance literature:

Reference yield:

1-phenyl-3-chloro-4-chloromethyl-2-pyrrolidone (61213-20-5) → 3-phenyl-3-azabicyclo[3.1.0]hexan-2-one (1198604-52-2)

Guidance literature:

With tetrahydrofuran; magnesium; In toluene;

DOI:10.2533/chimia.2010.188

upstream raw materials:

N-allyl-α,α-dichloroacetanilide

Downstream raw materials:

3-phenyl-3-azabicyclo[3.1.0]hexan-2-one