alpha-Pyrrolidinopropiophenone

Base Information

• Chemical Name: alpha-Pyrrolidinopropiophenone
• CAS No.: 19134-50-0
• Molecular Formula: C13H17NO
• Molecular Weight: 203.284
• Hs Code.: 2933990090
• UNII: 01DP8CH58H
• DSSTox Substance ID: DTXSID50897462
• Nikkaji Number: J1.970.279K
• Wikipedia: Alpha-Pyrrolidinopropiophenone
• Wikidata: Q4734920
• Mol file: 19134-50-0.mol

Synonyms:alpha-pyrrolidinopropiophenone

 This product is a nationally controlled contraband, and the Lookchem platform doesn't provide relevant sales information.

Chemical Property of alpha-Pyrrolidinopropiophenone

Chemical Property:

• Vapor Pressure: 0.000628mmHg at 25°C
• Refractive Index: 1.548
• Boiling Point: 309.708 °C at 760 mmHg
• PKA: 8.49±0.20(Predicted)
• Flash Point: 110.565 °C
• PSA: 20.31000
• Density: 1.063 g/cm³
• LogP: 2.29150
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 203.131014166
• Heavy Atom Count: 15
• Complexity: 215

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C(=O)C1=CC=CC=C1)N2CCCC2
• Uses: α-Pyrrolidinopropiophenone Hydrochloride is a chiral cathinone derivative. α-Pyrrolidinopropiophenone is known to be a stimulant drug and is structurally similiar to appetite suppressent Diethylpropio n (D444785). α-Pyrrolidinopropiophenone is a controlled substance.

Technology Process of alpha-Pyrrolidinopropiophenone

There total 12 articles about alpha-Pyrrolidinopropiophenone 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: 92.0%

pyrrolidine (123-75-1) + 1-Phenyl-1-propanol (93-54-9) → (SR)-(+/-)-1-phenyl-2-(1-pyrrolidinyl)-1-propanone (19134-50-0)

Guidance literature:

1-Phenyl-1-propanol; With N-Bromosuccinimide; In 1,4-dioxane;

pyrrolidine; In 1,4-dioxane; at 20 ℃; for 24h;

DOI:10.1021/ol503683q

Reference yield: 89.2%

L-1-(1-pyrrolidinyl)-1-propanone-D-(-)-mandelic acid → (SR)-(+/-)-1-phenyl-2-(1-pyrrolidinyl)-1-propanone (19134-50-0) + (R)-Mandelic Acid (611-71-2)

Guidance literature:

With hydrogenchloride; sodium hydroxide; In water; ethyl acetate; at 0 - 80 ℃; for 5h; pH=2;

Reference yield: 87.6%

L-1-phenyl-2-(1-pyrrolidinyl)-1-propanone-(-)-dibenzoyl-L-tartaric acid salt → (SR)-(+/-)-1-phenyl-2-(1-pyrrolidinyl)-1-propanone (19134-50-0) + O,O'-dibenzoyl-D-tartaric acid (17026-42-5)

Guidance literature:

With hydrogenchloride; sodium hydroxide; In water; ethyl acetate; at 80 ℃; for 5h; pH=2 - 11.5;

upstream raw materials:

pyrrolidine

2-bromo-1-phenyl-1-propanone

N-chloropyrrolidine

1-phenyl-propan-1-one

Downstream raw materials:

(1S,2R)-(+)-1-phenyl-2-(1-pyrrolidinyl)-1-propanol

(1R,2S)-1-phenyl-2-(1-pyrrolidinyl)-1-propanol

(SR)-(+/-)-1-phenyl-2-(1-pyrrolidinyl)-1-propanone hydrochloride

(S)-(-)-1-phenyl-2-(1-pyrrolidinyl)-1-propanone

Refernces

• 1、 Wu, Weilong,You, Cai,Yin, Congcong,Liu, Yuanhua,Dong, Xiu-Qin,Zhang, Xumu. "Enantioselective and Diastereoselective Construction of Chiral Amino Alcohols by Iridium-f-Amphox-Catalyzed Asymmetric Hydrogenation via Dynamic Kinetic Resolution". supporting information. p. 2548 - 2551. Retrieved 2017/05/24.
• 2、 -. "Preparation method of (1R,2S)-1-phenyl-2-(1-pyrrolidyl)-1-propanol". Paragraph 0037. . Retrieved 2016/10/31.