4,4-Diethoxybutylamine

Base Information

• Chemical Name: 4,4-Diethoxybutylamine
• CAS No.: 6346-09-4
• Molecular Formula: C8H19NO2
• Molecular Weight: 161.244
• Hs Code.: 29221990
• European Community (EC) Number: 228-753-2
• NSC Number: 43756
• UNII: 855N4XY7X8
• DSSTox Substance ID: DTXSID20212880
• Nikkaji Number: J81.198J
• Wikidata: Q72468897
• Mol file: 6346-09-4.mol

Synonyms:4,4-diethoxybutan-1-amine;6346-09-4;4,4-Diethoxybutylamine;4-Aminobutyraldehyde diethyl acetal;1-Butanamine, 4,4-diethoxy-;4,4-Diethoxy-1-butanamine;4-aminobutyraldehyde diethylacetal;855N4XY7X8;4-Amino butyraldehyde diethylacetal;MFCD00008227;NSC-43756;4-AminobutyraldehydeDiethylAcetal;AmBDA;NSC43756;4-aminobutanal diethyl acetal;SCHEMBL135621;UNII-855N4XY7X8;4,4-Diethoxy-1-butanamine #;4-aminobutyraldehyde-diethylacetal;DTXSID20212880;4-Aminobutyralodehyde diethyl ester;4-amino butyraldehyde diethyl acetal;EINECS 228-753-2;NSC 43756;AKOS000120448;CS-W008785;DS-2686;SB40528;BP-31230;SY015624;4-Aminobutyraldehyde diethyl acetal, tech.;AI3-28711;A1350;D3968;FT-0617043;EN300-20438;F10973;4-Aminobutyraldehyde diethyl acetal, 90%, technical grade

Chemical Property of 4,4-Diethoxybutylamine

Chemical Property:

• Appearance/Colour: clear colourless liquid
• Vapor Pressure: 0.408mmHg at 25°C
• Refractive Index: n20/D 1.428(lit.)
• Boiling Point: 196 °C at 760 mmHg
• PKA: 10.50±0.10(Predicted)
• Flash Point: 62.8 °C
• PSA: 44.48000
• Density: 0.909 g/cm³
• LogP: 1.82470
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Sensitive.: Air Sensitive
• Solubility.: Chloroform (Sparingly), Methanol (Slightly)
• Water Solubility.: Miscible in water.
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 161.141578849
• Heavy Atom Count: 11
• Complexity: 72.5

Purity/Quality:

99% ^*data from raw suppliers

4-Aminobutyraldehyde diethyl acetal ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCOC(CCCN)OCC

Technology Process of 4,4-Diethoxybutylamine

There total 16 articles about 4,4-Diethoxybutylamine 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: 76.0%

N'-(4,4-diethoxy-butyl)-N,N-dibenzyl-formamidine → 4-aminobutyrylaldehyde diethylacetal (6346-09-4)

Guidance literature:

In methanol; water; at 20 ℃; for 34h;

DOI:10.1021/jo980099g

Reference yield: 69.0%

N'-(4,4-diethoxy-butyl)-N,N-dimethyl-formamidine → 4-aminobutyrylaldehyde diethylacetal (6346-09-4) + methyl-aminobutyraldehyde diethyl acetal (114094-45-0)

Guidance literature:

With hydrogen; palladium on activated charcoal; palladium hydroxide - carbon; In methanol; at 20 ℃; for 5h; under 3102.89 Torr;

DOI:10.1021/jo980099g

Reference yield: 52.0%

2-(phenyl)-N-(4,4-diethoxybutyl)acetamide (117176-81-5) → 4-aminobutyrylaldehyde diethylacetal (6346-09-4)

Guidance literature:

EC 3.5.1.11;

DOI:10.1016/S0040-4039(00)86668-X

upstream raw materials:

4,4-diethoxybutanenitrile

4,4-Diethoxy-3-hydroxybutyronitril

4,4-diethoxy-butyraldehyde oxime

2-(phenyl)-N-(4,4-diethoxybutyl)acetamide

Downstream raw materials:

N-(4,4-diethoxybutyl)benzamide

deoxyvasicinone

2,3-trimethylene-1,2-dihydroquinazolinium picrate

2-(1-methyl-1H-indol-3-yl)ethylamine

Refernces

• 1、 -. "PREPARATION AND UTILITY OF SUBSTITUTED INDOLES". Page/Page column 36. . Retrieved 2008/06/13.
• 2、 Vincent, Stephane,Mons, Stephane,Lebeau, Luc,Mioskowski, Charles. "N,N-Dibenzyl formamidine as a new protective group for primary amines". . p. 7527 - 7530. Retrieved 2007/10/03.