4-Phenylpyrrolidin-3-ol

Base Information

• Chemical Name: 4-Phenylpyrrolidin-3-ol
• CAS No.: 1242166-68-2
• Molecular Formula: C₁₀H₁₃NO
• Molecular Weight: 163.219
• European Community (EC) Number: 822-215-6
• DSSTox Substance ID: DTXSID901313837
• Mol file: 1242166-68-2.mol

Synonyms:4-phenylpyrrolidin-3-ol;97382-93-9;4-Phenyl-3-pyrrolidinol;3-hydroxy-4-phenylpyrrolidine;SCHEMBL348725;LKWOEDBCCDPEQB-UHFFFAOYSA-N;DTXSID901313837;1242166-68-2;PB20756;SB10733;EN300-233730

Chemical Property of 4-Phenylpyrrolidin-3-ol

Chemical Property:

• XLogP3: 0.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 163.099714038
• Heavy Atom Count: 12
• Complexity: 143

Purity/Quality:

97% ^*data from raw suppliers

4-Phenylpyrrolidin-3-oloxalate(2:1) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1C(C(CN1)O)C2=CC=CC=C2

Technology Process of 4-Phenylpyrrolidin-3-ol

There total 4 articles about 4-Phenylpyrrolidin-3-ol 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: 100.0%

C15H21NO3 (849674-11-9) → C10H13NO (1242166-68-2)

Guidance literature:

With hydrogenchloride; In dichloromethane; ethyl acetate; at 20 ℃; for 2h;

Reference yield:

(+/-)-benzyl trans-3-hydroxy-4-phenylpyrrolidine-1-carboxylate → (+/-)-trans-3-hydroxy-4-phenylpyrrolidine (1242166-68-2)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In methanol; at 20 ℃; for 75h;

DOI:10.1021/jm100898v

Reference yield:

phenylmagnesium bromide (100-58-3) → C10H13NO (1242166-68-2)

Guidance literature:

Multi-step reaction with 2 steps

1: copper(l) iodide / tetrahydrofuran / 3 h / 0 - 20 °C / Inert atmosphere

2: hydrogenchloride / dichloromethane; ethyl acetate / 2 h / 20 °C

With hydrogenchloride; copper(l) iodide; In tetrahydrofuran; dichloromethane; ethyl acetate;

upstream raw materials:

phenylmagnesium bromide

C₁₅H₂₁NO₃

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