4,4-Diethoxy-N-methylbutan-1-amine

Base Information

• Chemical Name: 4,4-Diethoxy-N-methylbutan-1-amine
• CAS No.: 114094-45-0
• Molecular Formula: C9H21NO2
• Molecular Weight: 175.271
• Hs Code.: 2922199090
• DSSTox Substance ID: DTXSID80553908
• Nikkaji Number: J1.097.877G
• Wikidata: Q82434634
• Mol file: 114094-45-0.mol

Synonyms:114094-45-0;4,4-Diethoxy-N-methylbutan-1-amine;(4,4-Diethoxy-butyl)-methyl-amine;1-Butanamine, 4,4-diethoxy-N-methyl-;GAMMA-METHYLAMINOBUTYRALDEHYDE DIETHYL ACETAL;(4,4-diethoxybutyl)(methyl)amine;4,4-Diethoxy-N-methyl-1-butanamine;|A-Methylaminobutyraldehyde Diethyl Acetal;SCHEMBL1120398;DTXSID80553908;PUDDNHSIGUYGOH-UHFFFAOYSA-N;MFCD09840912;4, 4-diethoxy-N-methylbutan-1-amine;AKOS006242772;SB30825;?-Methylaminobutyraldehyde Diethyl Acetal;?-Methylaminobutyraldehyde, Diethyl Acetal;CS-0340891;gamma -Methylaminobutyraldehyde, Diethyl Acetal;EN300-25983167;J-003054

Chemical Property of 4,4-Diethoxy-N-methylbutan-1-amine

Chemical Property:

• Boiling Point: 224.9±30.0 °C(Predicted)
• PKA: 10.69±0.10(Predicted)
• PSA: 30.49000
• Density: 0.880±0.06 g/cm3(Predicted)
• LogP: 1.77600
• Storage Temp.: Refrigerator
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 8
• Exact Mass: 175.157228913
• Heavy Atom Count: 12
• Complexity: 82.6

Purity/Quality:

98%Min ^*data from raw suppliers

γ-MethylaminobutyraldehydeDiethylAcetal ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(CCCNC)OCC
• Uses: A precursor to gamma-methylaminobuteraldehyde.

Technology Process of 4,4-Diethoxy-N-methylbutan-1-amine

There total 11 articles about 4,4-Diethoxy-N-methylbutan-1-amine 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: 80.0%

4-chloro-1,1-diethoxybutane (6139-83-9) + methylamine (74-89-5) → methyl-aminobutyraldehyde diethyl acetal (114094-45-0)

Guidance literature:

4-chloro-1,1-diethoxybutane; methylamine; In methanol; for 48h;

With sodium hydroxide; In water;

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: 68.0%

N-(4,4-diethoxybutyl)-formamide (220803-77-0) → methyl-aminobutyraldehyde diethyl acetal (114094-45-0)

Guidance literature:

With lithium aluminium tetrahydride;

DOI:10.1016/S0031-9422(00)82529-7

upstream raw materials:

N-(4,4-diethoxybutyl)-formamide

methyl iodide

4-aminobutyrylaldehyde diethylacetal

4-chloro-1,1-diethoxybutane

Downstream raw materials:

N-methyl-2-[5-[[(methylamino)sulphonyl]methyl]-1H-indol-3-yl]ethanamine

N-methyl-5-(1H-1,2,4-triazol-1-yl-methyl)-1H-indol-3-ethanamine

(2-(5-chloro-1-(3-phenylpropyl)-1H-indol-3-yl)ethyl)methylamine

2-(1-(2-cyclohexylethyl)-5-methyl-1H-indol-3-yl)-N-methylethanamine

Refernces

• 1、 Mittapelli, Vasantha,Ray, Puma Chandra,Chauhan, Yogendra Kumar,Datta, Debashish. "N-Desmethyltriptans: One pot efficient synthesis of N-methyl-2-5- [substituted- 1H- indole-3-yl]ethanamines". experimental part. p. 590 - 594. Retrieved 2010/01/06.
• 2、 Feth, Friedhelm,Wray, Victor,Wagner, Karl G.. "Determination of methylputrescine oxidase by high performance liquid chromatography". . p. 1653 - 1655. Retrieved 2007/10/02.