4-Aminobutanal

Base Information

• Chemical Name: 4-Aminobutanal
• CAS No.: 4390-05-0
• Molecular Formula: C4H9 N O
• Molecular Weight: 87.1216
• Hs Code.: 2922399090
• DSSTox Substance ID: DTXSID50863389
• Nikkaji Number: J38.531J
• Wikidata: Q27073754
• Metabolomics Workbench ID: 37590
• ChEMBL ID: CHEMBL2261442
• Mol file: 4390-05-0.mol

Synonyms:4-aminobutyraldehyde;gamma-aminobutyraldehyde

Chemical Property of 4-Aminobutanal

Chemical Property:

• Vapor Pressure: 2.45mmHg at 25°C
• Boiling Point: 159.9°Cat760mmHg
• PKA: 9.82±0.10(Predicted)
• Flash Point: 50.5°C
• PSA: 43.09000
• Density: 0.911g/cm³
• LogP: 0.62450
• XLogP3: -0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 87.068413911
• Heavy Atom Count: 6
• Complexity: 36.5

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CC=O)CN

Technology Process of 4-Aminobutanal

There total 10 articles about 4-Aminobutanal 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: 39.0%

4-Aminobutanol (13325-10-5) → 4-aminobutyraldehyde (4390-05-0) + 4-amino-n-butyric acid (56-12-2)

Guidance literature:

With 1H-imidazole; [bis(acetoxy)iodo]benzene; In dichloromethane; at 20 ℃; for 1h;

DOI:10.3184/030823407X209679

Reference yield:

glycyl-glycyl-L-isoleucyl-L-proline → formaldehyd (50-00-0,30525-89-4,61233-19-0) + (S)-2-methylbutyraldehyde (1730-97-8) + 4-aminobutyraldehyde (4390-05-0) + carbon dioxide (124-38-9,18923-20-1)

Guidance literature:

With sodium acetate; manganese triacetate; In water; at 24.84 ℃; Further Variations:; Reagents; Temperatures; Kinetics;

DOI:10.1002/kin.20144

Reference yield:

glycyl-glycyl-L-phenylalanyl-L-proline → formaldehyd (50-00-0,30525-89-4,61233-19-0) + 4-aminobutyraldehyde (4390-05-0) + carbon dioxide (124-38-9,18923-20-1) + phenylacetaldehyde (122-78-1)

Guidance literature:

With sodium acetate; manganese triacetate; In water; at 24.84 ℃; Further Variations:; Reagents; Temperatures; Kinetics;

DOI:10.1002/kin.20144

upstream raw materials:

2-Chloroquinoline

4-aminobutylate

4-Aminobutanol

1,4-diaminobutane

Downstream raw materials:

4-amino-n-butyric acid

benzyl (4-amino-1-(diphenoxyphosphoryl)butyl)carbamate

Refernces

• 1、 Karimipour, Gholam Reza,Shadegan, Hamid Asadpour,Ahmadpour, Roxana. "Clean and highly selective oxidation of alcohols by the Phl(OAc) 2/Mn(TPP)CN/lm catalytic system". . p. 252 - 256. Retrieved 2008/02/08.
• 2、 Kempe Gowda, B. K.,Prasad, H. S.,Rangappa, K. S.,Channe Gowda, D.. "Hydrophobicity Dependence of Oxidation of Tetrapeptides of Elastin Sequences with Mn(III): Synthesis, Characterization, Kinetics, and Mechanistic Study". . p. 39 - 48. Retrieved 2007/10/03.