(3S,4S)-1-benzylpyrrolidine-3,4-dicarbonitrile

Base Information

• Chemical Name: (3S,4S)-1-benzylpyrrolidine-3,4-dicarbonitrile
• CAS No.: 87813-02-3
• Molecular Formula: C₁₃H₁₃N₃
• Molecular Weight: 211.266
• DSSTox Substance ID: DTXSID20363947
• Mol file: 87813-02-3.mol

Synonyms:AC1LTV79;SCHEMBL4641367;DTXSID20363947

Chemical Property of (3S,4S)-1-benzylpyrrolidine-3,4-dicarbonitrile

Chemical Property:

• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 211.110947427
• Heavy Atom Count: 16
• Complexity: 302

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1C(C(CN1CC2=CC=CC=C2)C#N)C#N
• Isomeric SMILES: C1[C@H]([C@@H](CN1CC2=CC=CC=C2)C#N)C#N

Technology Process of (3S,4S)-1-benzylpyrrolidine-3,4-dicarbonitrile

There total 1 articles about (3S,4S)-1-benzylpyrrolidine-3,4-dicarbonitrile 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: 71.0%

N-benzyl-N-(cyanomethyl)-N-[(trimethylsilyl)methyl]amine (87813-07-8) + 1,2-Dicyanoethylene (764-42-1) → (3R,4R)-1-Benzyl-pyrrolidine-3,4-dicarbonitrile (87813-02-3)

Guidance literature:

With silver fluoride; In acetonitrile; α-Cyanoaminosilanes act as azomethine ylide equivalents in 1,3-dipolar cycloadditions with electron deficient olefins.;

DOI:10.1016/S0040-4020(01)96706-7

upstream raw materials:

N-benzyl-N-(cyanomethyl)-N-[(trimethylsilyl)methyl]amine

1,2-Dicyanoethylene