(R)-2-benzhydrylpyrrolidine

Base Information

• Chemical Name: (R)-2-benzhydrylpyrrolidine
• CAS No.: 22348-31-8
• Molecular Formula: C17H19N
• Molecular Weight: 237.34
• Hs Code.: 29339900
• European Community (EC) Number: 623-825-3
• UNII: A4N7NNK7Z8
• DSSTox Substance ID: DTXSID50584249
• Nikkaji Number: J3.045.493F
• Wikidata: Q72473394
• Mol file: 22348-31-8.mol

Synonyms:22348-31-8;(R)-2-benzhydrylpyrrolidine;(R)-(+)-2-(Diphenylmethyl)pyrrolidine;(2R)-2-(diphenylmethyl)pyrrolidine;(2R)-2-Benzhydrylpyrrolidine;Pyrrolidine, 2-(diphenylmethyl)-, (2R)-;A4N7NNK7Z8;(R)-2-DIPHENYLMETHYLPYRROLIDINE;(R)-2-(diphenylmethyl)pyrrolidine;2-Diphenylmethylpyrrolidine, (R)-;UNII-A4N7NNK7Z8;Pyrrolidine, 2-(diphenylmethyl)-, (2R)-(+)-;MFCD01861800;(R)-(+)-2-(Diphenylmethyl)pyrrolidine, 97%;SCHEMBL670331;DTXSID50584249;OXOBKZZXZVFOBB-MRXNPFEDSA-N;AM9242;AKOS007930809;AC-6128;CS-W012846;DS-1945;A4800;D3803;O10167;J-014655;Pyrrolidine, 2-(diphenylmethyl)-, (+)-;Pyrrolidine, 2-(diphenylmethyl)-, (R)-;(R)-2-Benzhydrylpyrrolidine

Chemical Property of (R)-2-benzhydrylpyrrolidine

Chemical Property:

• Vapor Pressure: 4.64E-05mmHg at 25°C
• Refractive Index: n20/D 1.5870(lit.)
• Boiling Point: 349.6 °C at 760 mmHg
• PKA: 10.68±0.10(Predicted)
• Flash Point: 170.8 °C
• PSA: 12.03000
• Density: 1.046 g/cm³
• LogP: 3.89930
• Storage Temp.: 2-8°C
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 237.151749610
• Heavy Atom Count: 18
• Complexity: 220

Purity/Quality:

97% ^*data from raw suppliers

(R)-2-Benzhydrylpyrrolidine 95% ee ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(NC1)C(C2=CC=CC=C2)C3=CC=CC=C3
• Isomeric SMILES: C1C[C@@H](NC1)C(C2=CC=CC=C2)C3=CC=CC=C3

Technology Process of (R)-2-benzhydrylpyrrolidine

There total 10 articles about (R)-2-benzhydrylpyrrolidine 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: 91.0%

(S)-2-Benzhydryl-1-benzyl-pyrrolidine (118971-05-4) → (S)-2-(diphenylmethyl)pyrrolidine (22348-31-8,119237-64-8)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethanol; for 3h; Heating;

Reference yield: 86.0%

7,7-diphenyl-4,5,6,6a-tetrahydro-1H,3H-pyrrolo<1,2-c>oxazol-2-one (160424-29-3) → (S)-2-(diphenylmethyl)pyrrolidine (22348-31-8,119237-64-8)

Guidance literature:

With hydrogen; palladium on activated charcoal; In methanol; for 48h; Ambient temperature;

DOI:10.1016/S0957-4166(96)00495-8

Reference yield:

(S)-proline-N-ethyl carbamate methyl ester (77581-28-3,93423-88-2) → (S)-2-(diphenylmethyl)pyrrolidine (22348-31-8,119237-64-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 82 percent / tetrahydrofuran / 3 h / Heating

2: 86 percent / H₂ / Pd/C / methanol / 48 h / Ambient temperature

With hydrogen; palladium on activated charcoal; In tetrahydrofuran; methanol;

DOI:10.1016/S0957-4166(96)00495-8

upstream raw materials:

(S)-2-Benzhydryl-1-benzyl-pyrrolidine

7,7-diphenyl-4,5,6,6a-tetrahydro-1H,3H-pyrrolo<1,2-c>oxazol-2-one

(S)-proline-N-ethyl carbamate methyl ester

phenylmagnesium bromide

Downstream raw materials:

(2S)-2-{diphenyl[(trimethylsilyl)oxy]methyl}pyrrolidine

C₂₂H₂₁N₅