3-Acetamidopropanal

Base Information

• Chemical Name: 3-Acetamidopropanal
• CAS No.: 73323-68-9
• Molecular Formula: C5H9NO2
• Molecular Weight: 115.132
• UNII: 33J3W58CHU
• DSSTox Substance ID: DTXSID90420091
• Wikidata: Q27111658
• Metabolomics Workbench ID: 42123
• Mol file: 73323-68-9.mol

Synonyms:3-acetamidopropanal;N-(3-oxopropyl)acetamide;73323-68-9;Acetamidopropanal;33J3W58CHU;Acetamide, N-(3-oxopropyl)-;N-(3-Oxidanylidenepropyl)ethanamide;CHEBI:30322;3AAP;3-acetamidopropionaldehyde;UNII-33J3W58CHU;SCHEMBL293767;DTXSID90420091;ARJPPNFIEQKVBB-UHFFFAOYSA-N;AKOS006318658;C18170;Q27111658

Chemical Property of 3-Acetamidopropanal

Chemical Property:

• Vapor Pressure: 0.0011mmHg at 25°C
• Refractive Index: 1.421
• Boiling Point: 300.722 °C at 760 mmHg
• Flash Point: 153.661 °C
• PSA: 49.66000
• Density: 1.007 g/cm³
• LogP: 0.55180
• XLogP3: -1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 115.063328530
• Heavy Atom Count: 8
• Complexity: 90.4

Purity/Quality:

99% ^*data from raw suppliers

N-(3-OXOPROPYL)ACETAMIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=O)NCCC=O

Technology Process of 3-Acetamidopropanal

There total 5 articles about 3-Acetamidopropanal 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: 77.0%

aminopropane diethyl acetal (41365-75-7) → N-acetyl-3-aminopropanaldehyde (73323-68-9)

Guidance literature:

Reference yield:

N1-acetylspermine (25593-72-0) → N-(3-aminopropyl)-1,4-diaminobutane (124-20-9) + N-acetyl-3-aminopropanaldehyde (73323-68-9)

Guidance literature:

With mouse polyamine oxidase; water; tris hydrochloride; glycerol; at 20 ℃; pH-value; Reagent/catalyst; Kinetics; Enzymatic reaction;

DOI:10.1016/j.abb.2010.04.015

Reference yield:

acetylaminoethylene (5202-78-8,28408-65-3) + carbon monoxide (201230-82-2) → N-acetyl-α-aminopropionaldehyde (73323-67-8) + N-acetyl-3-aminopropanaldehyde (73323-68-9)

Guidance literature:

With hydrogen; carbonylhydridetris(triphenylphosphine)rhodium(I); In benzene; at 40 - 45 ℃; for 40h; under 25857.4 Torr; Yield given. Title compound not separated from byproducts;

DOI:10.1021/jo01299a022

upstream raw materials:

acetylaminoethylene

carbon monoxide

aminopropane diethyl acetal

N-(3,3-diethoxypropyl)acetamide

Downstream raw materials:

{4-[3-Acetylamino-prop-(E)-ylideneamino]-butyl}-carbamic acid benzyl ester

N¹-acetylspermidine dihydrochloride

[4-(3-Acetylamino-propylamino)-butyl]-carbamic acid benzyl ester

Refernces

• 1、 Adachi, Mariya S.,Taylor, Alexander B.,Hart, P. John,Fitzpatrick, Paul F.. "Mechanistic and structural analyses of the roles of active site residues in yeast polyamine oxidase Fms1: Characterization of the N195A and D94N enzymes". . p. 8690 - 8697. Retrieved 2013/01/15.
• 2、 Kalisiak, Jarostaw,Trauger, Sunia A.,Kalisiak, Ewa,Morita, Hirotoshi,Fokin, Valery V.,et al.. "Identification of a new endogenous metabolite and the characterization of its protein interactions through an immobilization approach". experimental part. p. 378 - 386. Retrieved 2009/06/28.