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N-(N-PROPYL)ACETAMIDE, with the molecular formula C7H15NO, is an amide derivative of propylamine and acetic acid. It is a colorless liquid with a slight odor, soluble in water and many organic solvents. This chemical compound is widely used as a solvent in industrial processes and serves as a raw material in the production of pharmaceuticals, agrochemicals, and dyes. Additionally, it is utilized in research and development as a reagent and intermediate for the synthesis of other organic compounds, highlighting its importance in chemical manufacturing and scientific research.

5331-48-6

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5331-48-6 Usage

Uses

Used in Chemical Manufacturing:
N-(N-PROPYL)ACETAMIDE is used as a solvent for various industrial processes due to its solubility in water and many organic solvents, facilitating the production of a range of chemical products.
Used in Pharmaceutical Production:
N-(N-PROPYL)ACETAMIDE is used as a raw material in the production of pharmaceuticals, contributing to the development of new medications and therapeutic agents.
Used in Agrochemicals:
N-(N-PROPYL)ACETAMIDE is used as a raw material in the production of agrochemicals, playing a role in the creation of products that support agricultural practices.
Used in Dyes:
N-(N-PROPYL)ACETAMIDE is used as a raw material in the production of dyes, contributing to the coloration and quality of various products.
Used in Research and Development:
N-(N-PROPYL)ACETAMIDE is used as a reagent and intermediate in the synthesis of other organic compounds, supporting scientific research and the development of new chemical entities.

Check Digit Verification of cas no

The CAS Registry Mumber 5331-48-6 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 5,3,3 and 1 respectively; the second part has 2 digits, 4 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 5331-48:
(6*5)+(5*3)+(4*3)+(3*1)+(2*4)+(1*8)=76
76 % 10 = 6
So 5331-48-6 is a valid CAS Registry Number.
InChI:InChI=1/C26H19BrN2O3/c1-15-9-10-16(26-29-23-14-17(31-2)11-12-24(23)32-26)13-22(15)28-25(30)20-7-3-6-19-18(20)5-4-8-21(19)27/h3-14H,1-2H3,(H,28,30)

5331-48-6SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name N-propylacetamide

1.2 Other means of identification

Product number -
Other names N-Propyl-acetamid

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:5331-48-6 SDS

5331-48-6Relevant academic research and scientific papers

Pillar[5]arenes with an introverted amino group: A hydrogen bonding tuning effect

Chen, Lei,Li, Zhiming,Chen, Zhenxia,Hou, Jun-Li

, p. 248 - 251 (2013)

Pillar[5]arenes with introverted amino groups were produced through aminolysis. X-ray analysis demonstrated that the intramolecular hydrogen bonding induced the amino group toward the inner space of the cavity. The kinetic studies and molecular modelings revealed that the hydrogen bonding also contributed to the acceleration of the aminolysis through stabilizing the intermediate.

An NMR study on a pseudo-intramolecular transacylation reaction of an α-aryl-β-keto ester

Hirai, Sho,Asahara, Haruyasu,Hirao, Shotaro,Sawayama, Jun,Sugimoto, Ryuichi,Saigo, Kazuhiko,Nishiwaki, Nagatoshi

, p. 4889 - 4892 (2014)

The pseudo-intramolecular transacylation reaction efficiently proceeds like an intramolecular reaction, even though it is actually an intermolecular reaction. We have obtained valuable insights by monitoring the reaction by 1H NMR spectroscopy.

Decarboxylative Ritter-Type Amination by Cooperative Iodine (I/III)─Boron Lewis Acid Catalysis

Narobe, Rok,Murugesan, Kathiravan,Schmid, Simon,K?nig, Burkhard

, p. 809 - 817 (2022/01/15)

Recent years have witnessed important progress in synthetic strategies exploiting the reactivity of carbocations via photochemical or electrochemical methods. Yet, most of the developed methods are limited in their scope to certain stabilized positions in molecules. Herein, we report a metal-free system based on the iodine (I/III) catalytic manifold, which gives access to carbenium ion intermediates also on electronically disfavored benzylic positions. The unusually high reactivity of the system stems from a complexation of iodine (III) intermediates with BF3. The synthetic utility of our decarboxylative Ritter-type amination protocol has been demonstrated by the functionalization of benzylic as well as aliphatic carboxylic acids, including late-stage modification of different pharmaceutical molecules. Notably, the amination of ketoprofen was performed on a gram scale. Detailed mechanistic investigations by kinetic analysis and control experiments suggest two mechanistic pathways.

Monoacylation of Symmetrical Diamines in Charge Microdroplets

Ansu-Gyeabourh, Emelia,Amoah, Enoch,Ganesa, Chandrashekar,Badu-Tawiah, Abraham K.

, p. 531 - 536 (2021/01/13)

Monoacylation of symmetrical diamine is achieved when the primary α,ω-diamines (carbon numbers n = 3, 5 and 12) are diluted in ethyl acetate, and the resultant mixture is electrosprayed across a 10 mm distance in ambient air toward a mass spectrometer. The N-acylated product is formed in charged microdroplets without acidifying and activating agents and in the absence of heat. This result provided an insight into the orientation of the amines in the droplets, suggesting that the ester is activated to react with the amine at the droplet surface due to the high abundance of protons at the air-droplet interface.

A novel construction of acetamides from rhodium-catalyzed aminocarbonylation of DMC with nitro compounds

Bao, Zhi-Peng,Miao, Ren-Guan,Qi, Xinxin,Wu, Xiao-Feng

supporting information, p. 1955 - 1958 (2021/03/02)

Dimethyl carbonate (DMC), an environment-friendly compound prepared from CO2, shows diverse reactivities. In this communication, an efficient procedure using DMC as both a C1 building block and solvent in the aminocarbonylation reaction with nitro compounds has been developed. W(CO)6acts both a CO source and a reductant here.

PRODUCTION METHOD OF AMIDE COMPOUND

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Paragraph 0018; 0089-0106, (2020/10/08)

PROBLEM TO BE SOLVED: To provide a production method of an amide compound, which can use a variety of carboxylic acid halides and can produce a desired amide compound at a yield higher than a batch process by suppressing a side reaction. SOLUTION: Provided is a production method of an amide compound using a flow type reactor, in which the flow type reactor includes: a first flow path; a second flow path; a first mixing means provided at a confluent part of the first flow path and the second flow path; and a third flow path that is connected to the first mixing means and arranged on a down stream side of the first mixing means, the production method comprising: a mixing step of obtaining a mixed liquid by circulating a first liquid containing the carboxylic acid halide in the first flow path, circulating a second liquid containing an amine compound having a molecular weight of 1,000 or less, an inorganic alkali and water in the second flow path, and mixing the first liquid and the second liquid by the first mixing means to obtain a mixture; and a reaction step of obtaining an amide compound by circulating the mixed liquid in the third flow path and reacting the carboxylic acid halide and the amine compound in the third flow path. SELECTED DRAWING: Figure 1 COPYRIGHT: (C)2020,JPO&INPIT

Synthesis of diverse libraries of carboxamides via chemoselective N-acylation of amines by carboxylic acids employing Br?nsted acidic IL [BMIM(SO3H)][OTf]

Savanur, Hemantkumar M.,Malunavar, Shruti S.,Prabhala, Pavankumar,Sutar, Suraj M.,Kalkhambkar, Rajesh G.,Laali, Kenneth K.

supporting information, (2019/09/30)

Chemoselective N-acylation of amines with carboxylic acids as acyl electrophiles and Br?nsted acidic IL [BMIM(SO3H)][OTf] as promoter is reported under both thermal and microwave irradiation to produce libraries of carboxamides in good to excellent yields after a simple workup. The protocol is compatible with structurally diverse 1° and 2° amines and works in the presence of sensitive functional groups such as thiols and phenols. The potential for recycling and reuse of the IL is also demonstrated.

Metal-Free O-Selective Direct Acylation of Amino Alcohols Through Pseudo-Intramolecular Process

Yokoyama, Soichi,Shibauchi, Hiroshi,Asahara, Haruyasu,Nishiwaki, Nagatoshi

supporting information, p. 1125 - 1133 (2019/02/01)

Efficient α-aryl-β-keto ester acylation of amine accompanied by the elimination of ethyl phenylacetate was achieved owing to the pseudo-intramolecular process. The eliminated ethyl phenylacetate could be recycled by conversion into an α-aryl-β-keto ester upon treatment with an acyl chloride in the presence of lithium bis(trimethylsilyl)amide, by which the atom economy considerably increased. Acylation using an α-aryl-β-keto ester is highly sensitive to the bulkiness of the nucleophile, which facilitated the regioselective-acylation of the less hindered amino group in diamine without protecting the other. The transacylation of α-aryl-β-keto ester with N-alkylamino alcohol resulted in chemoselective O-acylation without protecting the amino group because the hydroxy group was attracted to the reaction site of the keto ester by forming an ammonium salt. Transacylation was demonstrated to be a practically useful tool for organic synthesis because this protocol can be conducted under mild conditions with simple manipulations in the absence of any additives such as metal catalyst and base.

Efficient acylation and transesterification catalyzed by dilithium tetra-tert-butylzincate at low temperatures

Oshimura, Miyuki,Oda, Yuki,Kondoh, Keita,Hirano, Tomohiro,Ute, Koichi

, p. 2070 - 2073 (2016/04/26)

The acylation and transesterification of alcohols with vinyl acetate and carboxylic esters were investigated in the presence of a catalytic amount (1-10 mol %) of dilithium tetra-tert-butylzincate (TBZL) as a catalyst. The acylation proceeded quantitatively at 0 °C within 1 h. The transesterification occurred for a wide range of combinations of esters and alcohols at 0 to -40 °C. To the best of our knowledge, this is the first successful transesterification at such low temperatures. The time-conversion plots for the transesterification show that the reaction reached equilibrium within 5 min at 0 °C. The reaction proceeded quantitatively by addition of molecular sieves 4A. In addition, the transesterification proceeded even in the presence of H2O and amines.

Carboxyl activation of 2-mercapto-4,6-dimethylpyrimidine through n-acyl-4,6-dimethylpyrimidine-2-thione: A chemical and spectrophotometric investigation

Rajan

, p. 287 - 291 (2015/01/30)

2-Mercapto-4,6-dimethylpyrimidine, as effective carboxyl activating group, has been successfully proved by converting it into respective acyl derivatives and the subsequent conversion to the amides and esters respectively using amines, amino alcohols and alcohols. The aminolysis and esterification were monitored chemically and spectrophotometrically. This paved way to establish that the above mercaptopyrimidine derivative is an efficient carboxyl activating group applicable in solid phase peptide synthesis.

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