4'-Methyl-alpha-pyrrolidinopropiophenone

Base Information

• Chemical Name: 4'-Methyl-alpha-pyrrolidinopropiophenone
• CAS No.: 28117-80-8
• Molecular Formula: C14H19NO
• Molecular Weight: 217.3068
• UNII: 0TY023967I
• DSSTox Substance ID: DTXSID80891438
• Nikkaji Number: J1.756.931G
• Wikipedia: 4%27-Methyl-%CE%B1-pyrrolidinopropiophenone
• Wikidata: Q4043329
• Mol file: 28117-80-8.mol

Synonyms:4'-methyl-alpha-pyrrolidinopropiophenone;4'-MPPP;MPPP cpd

Chemical Property of 4'-Methyl-alpha-pyrrolidinopropiophenone

Chemical Property:

• Boiling Point: 332.6 °C at 760 mmHg
• Flash Point: 119.2 °C
• PSA: 20.31000
• Density: 1.046 g/cm³
• LogP: 2.59990
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 217.146664230
• Heavy Atom Count: 16
• Complexity: 237

Purity/Quality:

99% ^*data from raw suppliers

4-MePPPHCl ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C(=O)C(C)N2CCCC2

Technology Process of 4'-Methyl-alpha-pyrrolidinopropiophenone

There total 4 articles about 4'-Methyl-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:

MPPP (28117-80-8) → 4-methyl-α-pyrrolidinopropiophenone (1326703-25-6,28117-80-8) + 4-methyl-α-pyrrolidinopropiophenone (1326703-24-5,28117-80-8)

Guidance literature:

With column LiChrospher 100 RP-18e; sulfated β-cyclodextrin; In methanol; water; at 20 ℃; Reagent/catalyst;

DOI:10.1002/chir.22341

Reference yield:

MPPP (28117-80-8) → 4-methyl-α-pyrrolidinopropiophenone (1326703-25-6,28117-80-8) + 4-methyl-α-pyrrolidinopropiophenone (1326703-24-5,28117-80-8)

Guidance literature:

With column LiChrospher 100 RP-18e; sulfated β-cyclodextrin; In methanol; water; at 20 ℃; Reagent/catalyst;

DOI:10.1002/chir.22341

Reference yield:

4'-methylpropiophenone (5337-93-9) → MPPP (28117-80-8)

Guidance literature:

Multi-step reaction with 2 steps

1: bromine / dichloromethane

2: ethanol

With bromine; In ethanol; dichloromethane;

DOI:10.1016/j.neuropharm.2021.108570

upstream raw materials:

pyrrolidine

2-bromo-4'-methylpropiophenone

4'-methylpropiophenone

Downstream raw materials:

4-methyl-α-pyrrolidinopropiophenone

4-methyl-α-pyrrolidinopropiophenone

4′-methyl-α-pyrrolidinopropiophenone hydrochloride

Refernces

• 1、 Kadkhodaei, Kian,Kadisch, Marlene,Schmid, Martin G.. "Successful use of a novel lux i-Amylose-1 chiral column for enantioseparation of “legal highs” by HPLC". . p. 42 - 52. Retrieved 2019/11/14.