3-(Dimethylamino)propanal

Base Information

• Chemical Name: 3-(Dimethylamino)propanal
• CAS No.: 70058-23-0
• Molecular Formula: C5H11NO
• Molecular Weight: 101.148
• Hs Code.: 2922399090
• DSSTox Substance ID: DTXSID10338149
• Nikkaji Number: J988.498J
• Wikidata: Q72469177
• Mol file: 70058-23-0.mol

Synonyms:3-(dimethylamino)propanal;70058-23-0;Propanal, 3-(dimethylamino)-;SCHEMBL196330;DTXSID10338149;MFCD11109990;AKOS016008492;AT35224;SY022382;EN300-1725315;A901415

Chemical Property of 3-(Dimethylamino)propanal

Chemical Property:

• Boiling Point: 124 °C at 760 mmHg
• PKA: 8.88±0.28(Predicted)
• Flash Point: 31.6 °C
• PSA: 20.31000
• Density: 0.874 g/cm³
• LogP: 0.13700
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 101.084063974
• Heavy Atom Count: 7
• Complexity: 52

Purity/Quality:

97% ^*data from raw suppliers

3-(DIMETHYLAMINO)PROPANAL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)CCC=O

Technology Process of 3-(Dimethylamino)propanal

There total 3 articles about 3-(Dimethylamino)propanal 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: 80.8%

glycerol (56-81-5,25618-55-7,64333-26-2,8013-25-0) → dimethylaminoacetone (15364-56-4) + 3-(dimethylamino)propanal (70058-23-0)

Guidance literature:

With H₆P₂W₁₈O₆₂/Zr-MCM-41; at 300 ℃; for 2h; Reagent/catalyst; Catalytic behavior;

DOI:10.1016/j.mcat.2018.07.017

Reference yield: 39.2%

glycerol (56-81-5,25618-55-7,64333-26-2,8013-25-0) → dimethylaminoacetone (15364-56-4) + acetaldehyde (75-07-0,9002-91-9) + hydroxy-2-propanone (116-09-6) + acrolein (107-02-8,25068-14-8) + 3-(dimethylamino)propanal (70058-23-0)

Guidance literature:

With Zirconium-MCM-41; at 300 ℃; for 2h; Reagent/catalyst; Catalytic behavior;

DOI:10.1016/j.mcat.2018.07.017

Reference yield: 6.5%

glycerol (56-81-5,25618-55-7,64333-26-2,8013-25-0) → formaldehyd (50-00-0,30525-89-4,61233-19-0) + dimethylaminoacetone (15364-56-4) + acetaldehyde (75-07-0,9002-91-9) + hydroxy-2-propanone (116-09-6) + acrolein (107-02-8,25068-14-8) + 3-(dimethylamino)propanal (70058-23-0)

Guidance literature:

With MCM-41; at 300 ℃; for 2h; Reagent/catalyst; Catalytic behavior;

DOI:10.1016/j.mcat.2018.07.017

upstream raw materials:

glycerol

Downstream raw materials:

C₂₀H₂₂N₂O

C₂₀H₂₂N₂O

N¹,N¹-dimethyl-N³-phenylpropane-1,3-diamine