21557-09-5

Basic information

• Product Name: 4-(1-PYRROLIDINO)ACETOPHENONE
• Synonyms: LABOTEST-BB LT00454831;4-(1-PYRROLIDINO)ACETOPHENONE;1-(4-PYRROLIDIN-1-YL-PHENYL)-ETHANONE;4'-(1-PYRROLIDINO)ACETOPHENONE, 98+%;4'-(1-Pyrrolidinyl)acetophenone, 98+%;4′-(1-Pyrrolidinyl)acetophenone
• CAS NO: 21557-09-5
• Molecular Formula: C₁₂H₁₅NO
• Molecular Weight: 189.25
• EINECS: -0
• Product Categories: Amines;blocks
• Mol File: 21557-09-5.mol
• Article Data: 31

Chemical Properties

• Melting Point: 129-131°C
• Boiling Point: 342.7°Cat760mmHg
• Flash Point: 136.5°C
• Appearance: /
• Density: 1.078g/cm³
• Vapor Pressure: 7.41E-05mmHg at 25°C
• Refractive Index: 1.556
• PKA: 2.71±0.40(Predicted)
• BRN: 4310531
• CAS DataBase Reference: 4-(1-PYRROLIDINO)ACETOPHENONE(CAS DataBase Reference)
• NIST Chemistry Reference: 4-(1-PYRROLIDINO)ACETOPHENONE(21557-09-5)
• EPA Substance Registry System: 4-(1-PYRROLIDINO)ACETOPHENONE(21557-09-5)

Safety Data

• Statements: 36/37/38
• Safety Statements: 26-36
• Hazardous Substances Data: 21557-09-5(Hazardous Substances Data)

Usage

General Description

4-(1-Pyrrolidino)acetophenone is a chemical compound often used as a reactive component in chemical research and experiments. The CAS number of this compound is 54317-58-9. Its chemical formula is C10H13NO2. 4-(1-PYRROLIDINO)ACETOPHENONE falls under the category of ketone, characterized by a carbonyl group (C=O) with the molecular weight around 179.216 g/mol. It's also called 4-acetylphenyl pyrrolidine. Safe handling protocols and protective measures must be put in place when dealing with this compound due to its potential hazards.

InChI:InChI=1/C12H15NO/c1-10(14)11-4-6-12(7-5-11)13-8-2-3-9-13/h4-7H,2-3,8-9H2,1H3

Upstream product

• 123-75-1 pyrrolidine 
• 99-91-2 para-chloroacetophenone 
• 109613-00-5 4-acetophenyl triflate 
• 696-59-3 cis,trans-2,5-dimethoxytetrahydrofuran 
• 99-92-3 p-aminobenzophenone 
• 4096-21-3 N-phenylpyrrolidine 
• 75-36-5 acetyl chloride 
• 13329-40-3 4-Iodoacetophenone 
• 110-52-1 1,4-dibromo-butane 
• 4724-56-5 1,4-ditosyloxybutane 
• 403-42-9 1-(4-fluorophenyl)ethanone 
• 110-56-5 1,4-dichlorobutane 
• 55-98-1 busulfan 
• 99-90-1 para-bromoacetophenone 

Downstream Products

• 216144-18-2 α-bromo-4-(1-pyrrolidino)acetophenone 
• 1050196-69-4 C₁₉H₁₈ClNO 
• 1133873-94-5 β-chloro-β-(4-pyrrolidinophenyl)propenal 
• 1260599-36-7 2,4-dioxo-4-(4-pyrrolidin-1-yl-phenyl)butyric acid ethyl ester 
• 1373368-72-9 1-(4-vinylphenyl)pyrrolidine 
• 1373368-71-8 α-deuterio-1-(4-vinylphenyl)pyrrolidine 
• 1373368-73-0 2-(4-pyrrolidinophenyl)-1-phenylprop-2-enone 
• 1373368-76-3 4-(N-pyrrolidino)acetophenone tosylhydrazone 
• 1393645-67-4 C₂₁H₂₃NO₃ 
• 1393645-61-8 C₂₁H₂₃NO₃ 
• 1393645-54-9 C₂₁H₂₃NO₃ 

Relevant articles and documents

A novel and unusual method for C[sbnd]N bond formation between benzene ring and various amines

A new approach to form C[sbnd]N bond without metal catalysis was developed. 4-acetylbenzoyl isocyanate reacted with various amines through a mild method to form C[sbnd]N bond. This reaction was amenable to scale-up and it afforded the corresponding products with good to excellent yields and tolerates a wide range of functional groups.

Nickel-Catalyzed Amination of (Hetero)aryl Halides Facilitated by a Catalytic Pyridinium Additive

An efficient and operationally simple Ni-catalyzed amination protocol has been developed. This methodology features a simple NiII salt, an organic base and catalytic amounts of both a pyridinium additive and Zn metal. A diverse number of (hetero)aryl halides were coupled successfully with primary and secondary alkyl amines, and anilines in good to excellent yields. Similarly, benzophenone imine gave the corresponding N-arylation product in an excellent yield.

Practical heterogeneous photoredox/nickel dual catalysis for C-N and C-O coupling reactions

Efficient C-N and C-O coupling reactions of aryl halides with amines and alcohols have been developed by using the strategy of heterogeneous visible light photoredox and nickel dual catalysis. Obviously, the joint use of inexpensive and bench-stable CdS and nickel salts, together with mild reaction conditions, makes these two transformations attractive for the synthetic community. This heterogeneous dual catalysis system also proved to be successful in the ligand-free catalytic hydroxylation of aryl bromide with water as a nucleophile. The practicality of this protocol is further emphasized by the scaled-up reaction and the reusability of heterogeneous photocatalysts.