4'-Methyl-3-pyrrolidinopropiophenone

Base Information

• Chemical Name: 4'-Methyl-3-pyrrolidinopropiophenone
• CAS No.: 87849-03-4
• Molecular Formula: C14H19NO
• Molecular Weight: 217.311
• European Community (EC) Number: 618-081-1
• DSSTox Substance ID: DTXSID20388579
• Nikkaji Number: J25.986A
• Wikidata: Q82183634
• Mol file: 87849-03-4.mol

Synonyms:4'-methyl-3-pyrrolidinopropiophenone;87849-03-4;SCHEMBL1140551;DTXSID20388579;KKCZPVROBRXZKM-UHFFFAOYSA-N;AKOS011904642;4'-Methyl-beta-(1-pyrrolidinyl)propiophenone

Chemical Property of 4'-Methyl-3-pyrrolidinopropiophenone

Chemical Property:

• PSA: 20.31000
• LogP: 2.60150
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 217.146664230
• Heavy Atom Count: 16
• Complexity: 225

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C(=O)CCN2CCCC2

Technology Process of 4'-Methyl-3-pyrrolidinopropiophenone

There total 3 articles about 4'-Methyl-3-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: 87.0%

→ 3-(pyrrolidin-1-yl)-1-(p-tolyl)propan-1-one (87849-03-4)

Guidance literature:

With hydrogenchloride; In ethanol; water; for 5h; Reflux;

Reference yield: 76.0%

pyrrolidine (123-75-1) + formaldehyd (50-00-0,30525-89-4,61233-19-0) + para-methylacetophenone (122-00-9) → 3-(pyrrolidin-1-yl)-1-(p-tolyl)propan-1-one (87849-03-4)

Guidance literature:

pyrrolidine; formaldehyd; para-methylacetophenone; With hydrogenchloride; In water; butan-1-ol; at 85 - 90 ℃;

With ammonia; In water; at 10 - 20 ℃;

Reference yield:

formaldehyd (50-00-0,30525-89-4,61233-19-0) + pyrrolidine hydrochloride (25150-61-2) + para-methylacetophenone (122-00-9) → 3-(pyrrolidin-1-yl)-1-(p-tolyl)propan-1-one (87849-03-4)

Guidance literature:

With hydrogenchloride; ethanol;

upstream raw materials:

formaldehyd

pyrrolidine hydrochloride

para-methylacetophenone

pyrrolidine

Downstream raw materials:

1-[2]pyridyl-3-pyrrolidino-1-p-tolyl-propan-1-ol

acrivastine

2-[1-hydroxy-3-pyrrolidino-1-(4-tolyl)-propyl]pyridine-6-aldehyde

3-((Z)-3-Pyrrolidin-1-yl-1-p-tolyl-propenyl)-pyridine