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HomeProduct name list4-(N,N-Dimethylamino)butanal Dimethyl Acetal

4-(N,N-Dimethylamino)butanal Dimethyl Acetal

  • CAS NO.:19718-92-4
  • Empirical Formula: C8H19NO2
  • Molecular Weight: 161.24
  • MDL number: MFCD06411126
  • EINECS: 606-363-7
  • SAFETY DATA SHEET (SDS)
  • Update Date: 2024-05-28 19:59:05
4-(N,N-Dimethylamino)butanal Dimethyl Acetal Structural

What is 4-(N,N-Dimethylamino)butanal Dimethyl Acetal?

Chemical properties

Pale Brown Oil.

The Uses of 4-(N,N-Dimethylamino)butanal Dimethyl Acetal

4-(N,N-Dimethylamino)butanal Dimethyl Acetal is a reactant used in the synthesis of hallucinogenic tryptamines.

General Description

4-(N,N-Dimethylamino)butanal Dimethyl Acetal is the acetal of 4-(N,N-dimethylamino)butanal. It is soluble in organic solvents and can be used as a building block for various organic syntheses, such as the synthesis of amides or sulfones. 4-(N,N-Dimethylamino)butanal Dimethyl Acetal has a high yield and can be prepared in one step by reacting methanesulfonic acid with dimethyl acetaldehyde. This reaction requires sulfuric acid and methane as catalysts.

Synthesis

synthesis of 4-(N,N-Dimethylamino)butanal dimethyl acetal: 4- Chlorobutanal dimethyl acetal (2) (100 g, 0.655 mol) was dissolved in aqueous dimethyl amine solution (200 mL) and the solution is stirred for 15 min at ambient temperature. The reaction mixture was then warmed to 50 oC and stirred for 3 h. After the reaction mixture was cooled to room temperature, the product was extracted with methylene chloride (2 × 250 mL). The combined organic layers were washed with 5 % NaHCO3 solution (2 × 100 mL) and brine solution (2 × 100 mL). The organic layer was evaporated and the residue was distilled to afford 88 g (84 %) of 4-(N,Ndimethylamino)butanal dimethyl acetal as a colourless liquid with 99.6 % purity by GC: b.p. 40 oC/1 mm Hg.
synthesis of 4-(N,N-Dimethylamino)butanal dimethyl acetal
(a) (i) Sodium carbonate, dichloromethane, 5 oC, 0.5 h (ii) Methanol, conc. H2SO4, room temperature, 3 h, 87 %. (b) Aqueous dimethyl amine solution (30 %), 50 oC, 3 h, 76.0 %
1H NMR (CDCl3, 200 MHz): δ 1.47-1.63 (m, 4H), 2.21 (s, 6H), 2.24 (t, J = 7.0 Hz, 2H), 3.31 (s, 6H), 4.37 (t, J = 5.4 Hz, 2H). IR (cm-1): 2945 (-CH2-), 2816 (-CH-), 1464 (C-N), 1074 (-C-O-). Mass: m/z 162.5 (M+1).

Properties of 4-(N,N-Dimethylamino)butanal Dimethyl Acetal

Boiling point: 164°C
Density  0.892
refractive index  1.4200-1.4240
Flash point: 25°C
storage temp.  under inert gas (nitrogen or Argon) at 2-8°C
solubility  Chloroform (Sparingly), Ethyl Acetate (Slightly)
pka 9.71±0.28(Predicted)
form  clear liquid
color  Colorless to Light yellow
Stability: Moisture Sensitive
InChI InChI=1S/C8H19NO2/c1-9(2)7-5-6-8(10-3)11-4/h8H,5-7H2,1-4H3
CAS DataBase Reference 19718-92-4(CAS DataBase Reference)

Safety information for 4-(N,N-Dimethylamino)butanal Dimethyl Acetal

Signal word Warning
Pictogram(s)
ghs
Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H227:Flammable liquids
H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
Precautionary Statement Codes P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P370+P378:In case of fire: Use … for extinction.
P403+P235:Store in a well-ventilated place. Keep cool.
P501:Dispose of contents/container to..…

Computed Descriptors for 4-(N,N-Dimethylamino)butanal Dimethyl Acetal

InChIKey WDZKKBDOGYBYBG-UHFFFAOYSA-N
SMILES C(N(C)C)CCC(OC)OC

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