Diethylaminoacetaldehyde diethyl acetal

Base Information

• Chemical Name: Diethylaminoacetaldehyde diethyl acetal
• CAS No.: 3616-57-7
• Molecular Formula: C10H23NO2
• Molecular Weight: 189.298
• Hs Code.: 29225000
• European Community (EC) Number: 222-801-6
• NSC Number: 62128
• UNII: F8CJN663QA
• DSSTox Substance ID: DTXSID60871036
• Nikkaji Number: J205.543K
• Mol file: 3616-57-7.mol

Synonyms:3616-57-7;Diethylaminoacetaldehyde diethyl acetal;2,2-diethoxy-n,n-diethylethanamine;(2,2-diethoxyethyl)diethylamine;2,2-Diethoxyethyl(diethyl)amine;Diethylaminoacetaldehyde diethylacetal;F8CJN663QA;EINECS 222-801-6;NSC-62128;Ethanamine, 2,2-diethoxy-N,N-diethyl-;2,2-DIETHOXYTRIETHYLAMINE;NSC62128;UNII-F8CJN663QA;SCHEMBL441769;DTXSID60871036;ADAL1186502;MFCD00009234;NSC 62128;AKOS009157167;CS-0265160;FT-0634931;EN300-96696;N-(2,2-DIETHOXYETHYL)-N,N-DIETHYLAMINE;W-106637;Z1142693491

Chemical Property of Diethylaminoacetaldehyde diethyl acetal

Chemical Property:

• Appearance/Colour: clear yellow to brown liquid
• Vapor Pressure: 0.44mmHg at 25°C
• Refractive Index: n20/D 1.4189(lit.)
• Boiling Point: 194.5 ºCat 760 mmHg
• PKA: 10.21±0.25(Predicted)
• Flash Point: 65 ºC
• PSA: 21.70000
• Density: 0.884 g/cm³
• LogP: 1.72730
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 8
• Exact Mass: 189.172878976
• Heavy Atom Count: 13
• Complexity: 99.1

Purity/Quality:

98%,99%, ^*data from raw suppliers

Diethylaminoacetaldehydediethylacetal ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39-37/39

MSDS Files:

Useful:

• Canonical SMILES: CCN(CC)CC(OCC)OCC

Technology Process of Diethylaminoacetaldehyde diethyl acetal

There total 5 articles about Diethylaminoacetaldehyde diethyl 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: 33.0%

ethanol (64-17-5) + triethylamine (121-44-8) → 2,2-diethoxy-N,N-diethylethanamine (3616-57-7) + N-(2,2-diethoxyethyl)-2,2-diethoxy-N-ethylethan-1-amine

Guidance literature:

With Cumene hydroperoxide; iodine; In acetonitrile; at 100 ℃; for 12h; Molecular sieve; Sealed tube; Inert atmosphere; Green chemistry;

DOI:10.1002/adsc.201801670

Reference yield: 20.8%

diethylamine (109-89-7) + Bromoacetaldehyde diethyl acetal (2032-35-1) → 2,2-diethoxy-N,N-diethylethanamine (3616-57-7)

Guidance literature:

With potassium iodide; In acetone; at 40 ℃;

Reference yield: 7.0%

ethanol (64-17-5) + triethylamine (121-44-8) → 2,2-diethoxy-N,N-diethylethanamine (3616-57-7) + N-(2,2-diethoxyethyl)-2,2-diethoxy-N-ethylethan-1-amine

Guidance literature:

With Cumene hydroperoxide; iodine; In acetonitrile; at 100 ℃; for 12h; Molecular sieve; Sealed tube; Inert atmosphere;

DOI:10.1002/adsc.201801670

upstream raw materials:

diethylamine

Bromoacetaldehyde diethyl acetal

chloroacetaldehyde diethyl acetal

ethanol

Downstream raw materials:

(E)-N,N-dimethyl-2-(4-nitro-1-oxidopyridin-3-yl)ethenamine

diethyl-(2,2-diphenyl-ethyl)-amine

Refernces

• 1、 Zhou, Min-Jie,Zhu, Shou-Fei,Zhou, Qi-Lin. "Iodine-Catalyzed Oxidative Rearrangement of Amines to α-Amino Acetals and α-Amino Aldehydes". supporting information. . Retrieved 2019/02/19.
• 2、 -. "SUBSTITUTED AMINOQUINAZOLINES USEFUL AS KINASES INHIBITORS". Page/Page column 24. . Retrieved 2013/12/03.