4-(Dimethylamino)butanal

Base Information

• Chemical Name: 4-(Dimethylamino)butanal
• CAS No.: 104459-70-3
• Molecular Formula: C6H13 N O
• Molecular Weight: 115.17
• Hs Code.: 2922399090
• DSSTox Substance ID: DTXSID00593366
• Nikkaji Number: J2.504.555F
• Wikidata: Q82487839
• Mol file: 104459-70-3.mol

Synonyms:4-(DIMETHYLAMINO)BUTANAL;104459-70-3;Butanal, 4-(dimethylamino)-;4-DIMETHYLAMINO-BUTYRALDEHYDE;4-dimethylaminobutanal;4-(N,N-Dimethylamino)butanal;SCHEMBL1751213;DTXSID00593366;MWVVYUVMPBNOKP-UHFFFAOYSA-N;AKOS006292605;DB-059145;EN300-1827843;A800983

Chemical Property of 4-(Dimethylamino)butanal

Chemical Property:

• Boiling Point: 153.3±23.0 °C(Predicted)
• PKA: 9.43±0.28(Predicted)
• PSA: 20.31000
• Density: 0.871±0.06 g/cm3(Predicted)
• LogP: 0.52710
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 115.099714038
• Heavy Atom Count: 8
• Complexity: 61.5

Purity/Quality:

99% ^*data from raw suppliers

4-(Dimethylamino)butanal 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)CCCC=O
• Uses: 4-(Dimethylamino)butanal was one of the reagents in discovery of a novel series of quinolone a6 nicotinic acetylcholine receptor agonists.

Technology Process of 4-(Dimethylamino)butanal

There total 3 articles about 4-(Dimethylamino)butanal which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

4,4-diethoxy-N,N-dimethyl-1-butanamine (1116-77-4) → N,N-dimethyl-4-aminobutyraldehyde (104459-70-3) + 2-Hydroxy-1,1-dimethyl-pyrrolidinium

Guidance literature:

With sulfuric acid; Yield given. Yields of byproduct given. Title compound not separated from byproducts; Ambient temperature;

DOI:10.1021/jo00092a046

Reference yield:

N,N-dimethylpent-4-enylamine (1001-91-8) → N,N-dimethyl-4-aminobutyraldehyde (104459-70-3)

Guidance literature:

With ozone;

Reference yield:

N,N-dimethylpent-4-enylamine (1001-91-8) → formaldehyd (50-00-0,30525-89-4,61233-19-0) + N,N-dimethyl-4-aminobutyraldehyde (104459-70-3) + 4-dimethylamino-butyric acid (693-11-8)

Guidance literature:

bei der Ozonspaltung;

upstream raw materials:

N,N-dimethylpent-4-enylamine

4,4-diethoxy-N,N-dimethyl-1-butanamine

Downstream raw materials:

C₂₁H₂₄N₂O

C₂₁H₂₄N₂O

C₁₂H₂₀N₂

Refernces