4078-13-1

Basic information

• Product Name: N-Acetyl-1,3-propanediamine
• Synonyms: N-Acetyl-1,3-propanediamine
• CAS NO: 4078-13-1
• Molecular Formula: C₅H₁₂N₂O
• Molecular Weight: 116.16158
• Mol File: 4078-13-1.mol
• Article Data: 16

Chemical Properties

• Boiling Point: 130 °C(Press: 3 Torr)
• Appearance: /
• Density: 0.9879 g/cm3
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• Solubility: Chloroform, Ethyl Acetate
• PKA: 16.30±0.46(Predicted)
• CAS DataBase Reference: N-Acetyl-1,3-propanediamine(CAS DataBase Reference)
• NIST Chemistry Reference: N-Acetyl-1,3-propanediamine(4078-13-1)
• EPA Substance Registry System: N-Acetyl-1,3-propanediamine(4078-13-1)

Safety Data

• Hazardous Substances Data: 4078-13-1(Hazardous Substances Data)

Usage

Description

N-(3-Aminopropyl)acetamide is a monoacetylated polyamine that can be used as a building block in the synthesis of heterocyclic compounds. Polyamines are promising biochemical markers of cancer and many other pathophysiological conditions, thus their concentrations in biological fluids have been analyzed.

Uses

N-Acetyl-1,3-propanediamine is an protected intermediate in the synthesis of analogs of Spermidine (S680400), an antineoplastic agent.

Upstream product

• 141-78-6 ethyl acetate 
• 109-76-2 Trimethylenediamine 
• 64-19-7 acetic acid 
• 75-36-5 acetyl chloride 
• 108-24-7 acetic anhydride 
• 79-20-9 acetic acid methyl ester 
• 156-87-6 propan-1-ol-3-amine 
• 75-05-8 acetonitrile 
• 1119-50-2 N-acetyl-2-cyanoethylamine 

Downstream Products

• 7597-14-0 N-(7-chloroquinolin-4-yl)propane-1,3-diamine 
• 1040104-67-3 (3-acetylamino-propyl)-carbamic acid 4-(1-tert-butoxycarbonylamino-ethyl)-phenyl ester 
• 1040100-94-4 (3-acetylamino-propyl)-carbamic acid 4-(1-amino-ethyl)-phenyl ester 
• 128651-82-1 3-Acetylamino-N-(2-cyanobenzylidene)propylamine 
• 5053-43-0 2-methylpyrimidine 
• 128651-77-4 3-Acetylamino-N-(2-bromobenzylidene)propylamine 
• 34670-62-7 1-Acetamido-3-(diphenylphosphinylamino)propan 

Relevant articles and documents

The spectroscopic and photophysical effects of the position of methyl substitution. II. 2-methylpyrimidine

Laser-induced fluorescence excitation and dispersed fluorescence spectra of the first n-?* transition of jet-cooled 2-methylpyrimidine have been recorded and analyzed.This work extends our earlier study of the spectroscopic and photophysical effects of methyl substitution in 4- and 5-methylpyrimidine.An unusual Fermi resonance invovlving the 6a0n progression forms the focus of the present study.The 6a01 vibronic transition is observed to be split into a triad of transitions.Dispersed fluorescence spectra are used to identify the dark background state responsible for the Fermi resonance coupling as the 16b1(3a''2) vibration/internal rotation combination level.This level is selectively coupled by symmetry constraints to 6a1(0a'1), leaving the 6a1(1e'') level unperturbed.The positions and intensities of the triad of peaks in the excitation spectrum allow a quantitative determination of the 6a1(0a'1) 16b1(3a''2) coupling matrix element of V = 4.1 cm-1.This vibration/internal rotation Fermi resonance is thus typical of the new types of routes to vibrational state mixing which are opened by methyl substitution.Higher members of the 6a0n progression are also involved in Fermi resonance mixing.However, in addition, these levels experience weaker, less state-specific coupling to a bath of same-symmetry states at that energy.The excitation spectrum provides an estimate of the average coupling matrix element of this second tier coupling of ca. 1 cm-1.

A new asymmetric diamide from the seed cake of Jatropha curcas L.

A new asymmetric diamide (E)-N-(3-acetamidopropyl)-cinnamamide named curcamide (1) has been isolated from the ethanol extract of the seed cake of Jatropha curcas L. along with 7 known compounds identified as isoamericanin (2), isoprincepin (3), caffeoylaldehyde (4), isoferulaldehyde (5), glycerol monooleate (6), syringaldehyde (7), and β-ethyl-d-glucopyranoside (8). The synthesis and antibacterial activity of the new compound have been also studied.

Unusual formation of imidazooxazolone in the reaction of 1-[(2-Acetylamino)ethyl]imidazolone with KSCN in the presence of AcOH

1-[(2-Acetylamino)ethyl]imidazolone was introduced for the first time in the condensation with KSCN in the presence of AcOH and imidazooxazolone was unexpectedly obtained. This result was possible only because of the unique character of 1-((2-Acetylamino)ethyl)imidazolone, which has an intramolecular N-H...O-H hydrogen bond and, therefore, reacts with the NCS anion to give only imidazooxazolone.

POLYFLUOROSULFONAMIDO AMINE AND INTERMEDIATE

Current methods for making polyfluorosulfonamido amines, which involve the use of a diamine reactant, provide low yields and produce an undesirable fluorine containing bis-sulfonamide by-product representing an economic loss. The bis-sulfonamide by-product is particularly undesirable because it shares very similar physical properties with the desired monoamine product thus making isolation of the desired polyfluorosulfonamido amine product difficult and costly. Furthermore, instead of the efficient incorporation of fluorine to make the desired polyfluorosulfonamido amine product, the bis-sulfonamide by-product constitutes a substantial loss of costly fluorinated starting material. The bis-sulfonamide by-product also constitutes an undesirable impurity that can worsen surfactancy, repellency, or other performance characteristics of the desired polyfluorosulfonamido amine product. The present invention provides a method of making a polyfluorosulfonamido amine without the production of a bis-sulfonamide by-product by reacting a polyfluoroalkylsulfonic compound with a monoamino amide rather than with a diamine reactant as in previously known methods.