1118-69-0

Basic information

• Product Name: N-Isopropylacetamide
• Synonyms: N-Isopropylacetamide;AcetaMide, N-(1-Methylethyl)-;2-AcetaMidopropane;N-(Propan-2-yl)acetamide
• CAS NO: 1118-69-0
• Molecular Formula: C₅H₁₁NO
• Molecular Weight: 101.1469
• Mol File: 1118-69-0.mol
• Article Data: 52

Chemical Properties

• Boiling Point: 199.7°Cat760mmHg
• Flash Point: 100.5°C
• Appearance: /
• Density: 0.861g/cm³
• Vapor Pressure: 0.337mmHg at 25°C
• Refractive Index: 1.405
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: 16.31±0.46(Predicted)
• CAS DataBase Reference: N-Isopropylacetamide(CAS DataBase Reference)
• NIST Chemistry Reference: N-Isopropylacetamide(1118-69-0)
• EPA Substance Registry System: N-Isopropylacetamide(1118-69-0)

Safety Data

• Hazardous Substances Data: 1118-69-0(Hazardous Substances Data)

Usage

General Description

N-Isopropylacetamide is a chemical compound with the molecular formula C5H11NO. It is a clear, colorless liquid with a slightly sweet odor and is highly soluble in water. N-Isopropylacetamide is commonly used as a solvent, in the production of pharmaceuticals and cosmetics, and as a precursor in the synthesis of other chemicals. It is also used in the synthesis of pesticides, herbicides, and insecticides. N-Isopropylacetamide is considered to be relatively non-toxic, with low acute oral and dermal toxicity, and is not expected to cause harm to the environment if used and disposed of properly. However, it should be handled with care and proper safety measures should be followed to avoid exposure.

InChI:InChI=1/C5H11NO/c1-4(2)6-5(3)7/h4H,1-3H3,(H,6,7)

Upstream product

• 108-24-7 acetic anhydride 
• 75-31-0 isopropylamine 
• 75-36-5 acetyl chloride 
• 1193-10-8 3-methyl-2,5-dihydrothiophen-1,1-dioxide 
• 22233-89-2 (phenylseleno)-2-propane 
• 75-05-8 acetonitrile 
• 10199-64-1 1-acetyl-1H-pyrazole 
• 2025-55-0 isopropyl radical 
• 1453-25-4 1-methylcycloheptene 
• 18068-25-2 Formaldehyde diisopropyl dithioacetal 
• 546-88-3 acetylhydroxamic acid 
• 918-00-3 1,1,1-trichloroacetone 
• 26908-82-7 acetyl p-toluenesulfonate 
• 1795-83-1 N-Phenylacetohydroxamic acid 

Downstream Products

• 19961-27-4 N-isopropylethylamine 
• 1231930-29-2 N-(4-bromo-2,6-difluorophenyl)-N'-isopropylacetamidine 
• 23784-47-6 N-isopropylcinnamamide 
• 1231930-82-7 abemaciclib 
• 1231930-42-9 6-(2-chloro-5-fluoropyrimidin-4-yl)-4-fluoro-1-isopropyl-2-methyl-1H-benzo[d]imidazole 
• 1231930-37-2 4-fluoro-1-isopropyl-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl)-1H-benzo[d]imidazole 
• 1231930-33-8 6-bromo-4-fluoro-1-isopropyl-2-methyl-1H-benzo[d]imidazole 
• 1231929-97-7 N-(5-((4-ethyl-1-piperazinyl)methyl)-2-pyridinyl)-5-fluoro-4-(4-fluoro-2-methyl-1-(1-methylethyl)-1H-benzimidazol-6-yl)-2-pyrimidinamine 
• 6006-15-1 N,N-diethyl-N-isopropylamine 
• 40999-32-4 N-Isopropyl-acetimidic acid 2,2,2-trifluoro-1-phenyl-1-trifluoromethyl-ethyl ester 
• 1563-85-5 N-acetyl-N-(1-methylethyl)acetamide 

Relevant articles and documents

Phase-separable aqueous amide solutions as a thermal history indicator

Aqueous solutions of several new amide compounds for use as simple thermal history indicators in the low-temperature transport of food and other products were synthesized. The phase transition temperatures of the aqueous solutions can be freely adjusted by changing the amide-water ratio in solution, the sodium chloride concentration of the water, and the type of amide compound. It is expected that these aqueous solutions can be applied as new thermal history indicators.

Intramolecular hydrogen bonding and conformation of small peptides: Variable-temperature FTIR study on N-acetyl-L-Pro-L-Leu-Gly-NH2 and related compounds

Intramolecular hydrogen bonding and conformation of tripeptide amides in CDCl3 solutions have been examined by variable-temperature FTIR spectroscopy. Absorption in the NH stretching region of N-acetyl-L-Pro-L-Leu-Gly-NH2 was decomposed into some component bands by least-squares fitting. Two broad bands at around 3350 and 3290 cm-1 were assigned to intramolecularly hydrogen-bonded NH groups in different conformers. The other relatively sharp bands were assigned to hydrogen-bond-free NHs of the three different amide groups by referring to spectra of analogous amide compounds. From temperature dependence of the band intensities, it is concluded that the C-terminal amide group takes part in the hydrogen bonding in both hydrogen-bonded conformers. From comparison with spectra of N-trifluoroacetyl-L-Pro-L-Leu-Gly-NH2 and L-Pro-L-Leu-Gly-NH2, the 3290-cm-1 band has been assigned to a 13-membered ring with the hydrogen bond between NH of the C-terminal amide group and CO of the N-terminal acetyl group. The 3350-cm-1 band, on the other hand, has been assigned to a 10-membered hydrogen-bonded ring between the C-terminal amide NH and a prolyl carbonyl group. A van't Hoff analysis shows that the 13-membered hydrogen-bonded ring is lly more favorable but entropically less favorable than the 10-membered hydrogen-bonded ring.

An unexpected copper-catalyzed carbonylative acetylation of amines

A novel copper-catalyzed carbonylative acetylation of amines has been developed. With peroxide as the oxidant as well as the methyl source with a copper catalyst under CO pressure, good yields of N-acetyl amides could be obtained. Notably, this is the first example of carbonylative acetylation.

N-acyl and N-alkoxycarbonyl derivatives of 1H-1,2,3-triazolo-[4,5-c] pyridine; preparation and application

The N-acylating and N-alkoxycarbonylation ability of the N-substituted 1,2,3-triazolo[4,5-c]pyridines 1a-e have been investigated. The alkoxycarbonyl triazolopyridine derivatives (1c-e) were readily prepared in 81-96% yield (the corresponding tetrafluoroborate > 95%). Triazolo[4,5-c]pyridine (1) has been shown to work as a good leaving group by the formation of amido- and carbamate protected derivatives of primary amines. The method was also successful for the N-tert-butoxycarbonyl (N-BOC) protection of the amino acid, phenylalanine. The synthetic transformations are facilitated by the one-pot preparation of 1a-e followed by the direct reaction with the amines or amino acid. The present method thus offers an efficient and convenient protocol for the in situ preparation of triazolopyridine reagents to be used directly for the protection of amines and amino acids. N-Acyl- and N-alkoxycarbonyl triazolopyridines (1a-e) were readily prepared in 4 steps from 4-aminopyridine (4) by amine protection, pyridine nitration, nitro reduction and diazotizations/cyclizations. All reactions offer the advantages of rapid conversions in high yields under very mild conditions.

A piperazine-containing aminopyrimidine derivative and its application

The present invention discloses a piperazine-containing aminopyrimidine derivative having a general formula I. structure, which belongs to kinase CDK4, CDK6 and / or CDK9 inhibitors, can be more widely used in the treatment of a variety of cancers, has gr

Phenysilane and Silicon Tetraacetate: Versatile Promotors for Amide Synthesis

Phenylsilane was reevaluated as a useful coupling reagent for amide synthesis. At room temperature, a wide range of amides and peptides were obtained in good to excellent yields (up to 99 %). For the first time, Weinreb amides synthesis mediated by a hydrosilane were also documented. Comparative experiments with various acetoxysilanes suggested the involvement of a phenyl-triacyloxysilane. From this mechanistic study, silicon tetraacetate was shown as an efficient amine acylating agent.