4-AMINOBUTYRALDEHYDE DIMETHYL ACETAL

Base Information

• Chemical Name: 4-AMINOBUTYRALDEHYDE DIMETHYL ACETAL
• CAS No.: 19060-15-2
• Molecular Formula: C6H15 N O2
• Molecular Weight: 133.191
• Hs Code.: 2922199090
• European Community (EC) Number: 407-690-6,640-399-4
• DSSTox Substance ID: DTXSID20885078
• Nikkaji Number: J1.098.726A
• Wikidata: Q72467807
• Mol file: 19060-15-2.mol

Synonyms:Butyraldehyde,4-amino-, dimethyl acetal (6CI,7CI,8CI); Butylamine, 4,4-dimethoxy- (8CI);4,4-Bis(methyloxy)butylamine; 4,4-Dimethoxy-1-butanamine;4,4-Dimethoxybutylamine; 4-Aminobutanal dimethyl acetal; 4-Aminobutyraldehydedimethyl acetal; g-Aminobutyraldehydedimethyl acetal

Chemical Property of 4-AMINOBUTYRALDEHYDE DIMETHYL ACETAL

Chemical Property:

• Vapor Pressure: 3.78mmHg at 25°C
• Refractive Index: 1.4300
• Boiling Point: 172.3°Cat760mmHg
• PKA: 10.50±0.10(Predicted)
• Flash Point: 59.9°C
• PSA: 44.48000
• Density: 0.924g/cm³
• LogP: 1.04450
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Sensitive.: Air Sensitive
• Solubility.: Miscible with benzene.
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 133.110278721
• Heavy Atom Count: 9
• Complexity: 55

Purity/Quality:

99.9% ^*data from raw suppliers

4-Aminobutyraldehyde Dimethyl Acetal ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C
• Statements: 36/37/38-52/53-43-34-22
• Safety Statements: 26-36/37/39-61-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(CCCN)OC
• Uses: 4-Aminobutyraldehyde dimethyl acetal acts as an intermediate in organic synthesis. It is used in the preparation of pineal hormone melatonin by reaction with 4-methoxyphenylhydrazine hydrochloride and acetic anhydride. Further, it is also used in the preparation of ficuseptine, juliprosine, and juliprosopine.

Technology Process of 4-AMINOBUTYRALDEHYDE DIMETHYL ACETAL

There total 7 articles about 4-AMINOBUTYRALDEHYDE DIMETHYL ACETAL 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: 88.0%

4-azido-1,1-dimethoxybutane (114819-95-3) → 4-aminobutyraldehyde dimethyl acetal (19060-15-2)

Guidance literature:

With triphenylphosphine; In tetrahydrofuran; for 1h; Ambient temperature;

DOI:10.1021/jo00249a008

Reference yield: 78.0%

4,4-dimethoxybutanenitrile (14618-78-1) → 4-aminobutyraldehyde dimethyl acetal (19060-15-2)

Guidance literature:

With sodium; In methanol; Heating;

DOI:10.1021/jo00249a008

Reference yield:

3-bromopropanal dimethyl acetal (36255-44-4) → 4-aminobutyraldehyde dimethyl acetal (19060-15-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 86 percent / n-Bu₃N / H₂O / 2 h / Heating

2: 78 percent / Na / methanol / Heating

With tributyl-amine; sodium; In methanol; water;

DOI:10.1021/jo00249a008

upstream raw materials:

β-Cyano-acrolein-dimethylacetal

methyl 4,4-dimethoxybutylcarbamate

4,4-dimethoxybutanenitrile

4-azido-1,1-dimethoxybutane

Downstream raw materials:

5-(4-azidophenyl)-N-(4,4-dimethoxybutyl)-4-methyl-2-phenylcarbonylamino-penta-2,4-dienamide

5-(4-azidophenyl)-N-(4,4-dimethoxybutyl)-4-methyl-2-((3-pyridyl)carbonylamino)-penta-2,4-dienamide

3-(4-azidophenyl)-N-(4,4-dimethoxybutyl)-2-phenylcarbonylamino-prop-2-enamide

3-(4-azidophenyl)-N-(4,4-dimethoxybutyl)-2-((3-pyridyl)carbonylamino)-prop-2-enamide