869-74-9

Basic information

• Product Name: 4-(Methylamino)pent-3-en-2-one
• Synonyms: 2-Pentanone, 4-(methylimino)- (6CI,7CI,8CI,9CI);4-Methylamino-pent-3-en-2-one
• CAS NO: 869-74-9
• Molecular Formula: C6H11NO
• Molecular Weight: 113.16
• Product Categories: ACETYLGROUP
• Mol File: 869-74-9.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 195.003°C at 760 mmHg
• Flash Point: 86.043°C
• Appearance: /
• Density: 0.892g/cm³
• Vapor Pressure: 0.429mmHg at 25°C
• Refractive Index: 1.439
• CAS DataBase Reference: 4-(Methylamino)pent-3-en-2-one(CAS DataBase Reference)
• NIST Chemistry Reference: 4-(Methylamino)pent-3-en-2-one(869-74-9)
• EPA Substance Registry System: 4-(Methylamino)pent-3-en-2-one(869-74-9)

Safety Data

• Hazardous Substances Data: 869-74-9(Hazardous Substances Data)

Usage

General Description

4-(Methylamino)pent-3-en-2-one is a chemical compound with the molecular formula C6H11NO. It is a ketone and a substituted amine, containing a methylamino group attached to the third carbon of the pent-3-en-2-one chain. 4-(Methylamino)pent-3-en-2-one is used in the synthesis of various pharmaceuticals and organic compounds due to its versatile reactivity and functional group compatibility. It is also known to possess a strong odor and is commonly used as a fragrance ingredient in perfumes and personal care products. Additionally, 4-(Methylamino)pent-3-en-2-one has been studied for its potential biological and pharmacological activities, making it a subject of interest in medicinal chemistry and drug development.

InChI:InChI=1/C6H11NO/c1-5(7-3)4-6(2)8/h4,7H,1-3H3

Synthetic route

methylamine (74-89-5) + acetylacetone (123-54-6) → 4-methylamino-pent-3-en-2-one (869-74-9)

Conditions	Yield
In methanol
In tetrahydrofuran
In toluene

4-methylamino-pent-3-en-2-one (869-74-9) + Rifamycin S (13553-79-2, 62623-68-1, 76188-88-0, 81203-58-9, 101978-28-3) → (19S,4Z,6E,8S,16E)-13c-acetoxy-13-acetyl-15,6,9c,11t-tetrahydroxy-15t-methoxy-11,2,7,9,4,8r,10t,12t,14c-nonamethyl-11H-18-oxa-2-aza-1(4,9)-furo[3',2':3,4]benzo[1,2-g]indola-cyclooctadecaphane-4,6,16-triene-110,3-dione (21240-38-0)

Conditions	Yield
In methanol for 70h; Ambient temperature;

4-methylamino-pent-3-en-2-one (869-74-9) + cobalt(II) chloride (7646-79-9) → C12H20CoN2O2

Conditions	Yield
With sodium In methanol

Upstream product

• 74-89-5 methylamine 
• 123-54-6 acetylacetone 

Downstream Products

• 21240-38-0 3'-Acetyl-1',2'-dimethyl-pyrrolo-<3,2-c>-4-desoxy-rifamycin SV 

Relevant articles and documents

Crystal Structures and Characteristics of Hirshfeld Surfaces of Co(II) β-Iminoketonate Derivatives

A series of Co β-iminoketonate derivatives with the general formula Co(L1)2, (L1 = i-acac (R = H, R1 = R2 = Me) – (1), Mei-acac (R = R1 = R2 = Me) – (2), i-thd (R = H, R1 = R2 = tBu) – (3), Mei-thd (R = Me, R1 = R2 = tBu) – (4)) and Co(L2) (L2= dmpda(acac)2 – (5) are obtained by the reaction of CoCl2 with the sodium salt of the corresponding β-iminoketonate ligand (L1 = R1C(O)CHC(NR)CR2 or L2 = MeC(O)CHC(Me)(NCH2C(Me)2CH2N)C(Me)CHC(O)Me) in methanol. Complexes 1-5 are characterized by the methods of elemental analysis, X-ray diffraction, and IR spectroscopy. The crystal cell parameters at 293 K are as follows: space group Сс, a = 13.7304(9) ?, b = 5.5516(4) ?, с = 18.4034(12) ?, β = 101.964(2)°, V = 1372.34(16) ?3, Z = 4 (2); space group P21/n, a = 9.953(2) ?, b = 12.074(3) ?, с = 11.161(2) ?, β = 109.924(8)°, V = 1260.9(5) ?3, Z = 2 (3); space group P1?, a = 11.7982(7) ?, b = 13.1673(9) ?, с = 17.6159(10) ?, α = 71.493(2)°, β = 83.478(2)°, γ = 72.829(2)°, V = 2478.7(3) ?3, Z = 4 (4); space group Pbca, a = 7.8635(2) ?, b = 14.0521(4) ?, с = 29.8715(9) ?, V = 3300.76(16) ?3, Z = 8 (5). Two pairs of shortened contacts are revealed in molecules 2 and 5 when studying their Hirshfeld surfaces. It is shown with the thermogravimetry method that complexes 1 and 2 are the most volatile in the studied series.