2,2-Diethoxyethylamine

Base Information

• Chemical Name: 2,2-Diethoxyethylamine
• CAS No.: 645-36-3
• Molecular Formula: C6H15NO2
• Molecular Weight: 133.191
• Hs Code.: 29225090
• European Community (EC) Number: 211-439-4
• NSC Number: 19501
• UNII: 658AO12BQL
• DSSTox Substance ID: DTXSID4060945
• Nikkaji Number: J12.475C
• Wikipedia: Aminoacetaldehyde_diethylacetal
• Wikidata: Q9579858
• ChEMBL ID: CHEMBL5081110
• Mol file: 645-36-3.mol

Synonyms:2,2-Diethoxyethylamine;645-36-3;Aminoacetaldehyde diethyl acetal;2,2-Diethoxyethanamine;Ethanamine, 2,2-diethoxy-;2-Aminoacetaldehyde diethyl acetal;Glycinaldehyde diethyl acetal;diethoxyethylamine;2,2-diethoxyethan-1-amine;Acetaldehyde, amino-, diethyl acetal;Aminoacetal;Aminoacetaldehyde acetal;2,2-diethoxy-ethylamine;MFCD00008136;NSC 19501;.alpha.-Aminoacetaldehyde diethyl acetal;1-amino-2,2-diethoxyethane;658AO12BQL;.beta.,.beta.-Diethoxyethylamine;EINECS 211-439-4;NSC-19501;Aminoacetaldehydediethylacetal;Ethanamine,2-diethoxy-;2,2-diethyoxyethylamine;2,2-diethoxy ethanamine;2,2-diethoxy-ethanamine;2,2-diethoxyethyl amine;2,2-diethoxy-ethyl-amine;UNII-658AO12BQL;1,1-diethoxy-2-aminoethane;2,2-bis(ethyloxy)ethanamine;aminoacetaldehyde diethylacetal;aminoacetaldehyde-diethylacetal;SCHEMBL289118;aminoacetoaldehyde diethylacetal;aminoacetaldehyde-diethyl acetal;[2,2-bis(ethyloxy)ethyl]amine;aminoacetoaldehyde diethyl acetal;amino acetaldehyde diethyl acetal;amino-acetaldehyde diethyl acetal;CHEMBL5081110;DTXSID4060945;HJKLEAOXCZIMPI-UHFFFAOYSA-;2-amino acetaldehyde diethylacetal;NSC19501;AKOS009031594;Aminoacetaldehyde diethyl acetal, 98%;.beta.-Aminoacetaldehyde diethyl acetal;CS-W001150;SB75608;AM807055;AS-13474;A0247;A8830;FT-0622277;EN300-20378;F11269;W-104829;F2190-0378;Z104477928;Aminoacetaldehyde diethyl acetal (2,2-diethoxyethylamine)

Chemical Property of 2,2-Diethoxyethylamine

Chemical Property:

• Appearance/Colour: clear colourless to light yellow liquid
• Vapor Pressure: 2.11mmHg at 25°C
• Melting Point: -78 °C
• Refractive Index: n20/D 1.417(lit.)
• Boiling Point: 163 °C at 760 mmHg
• PKA: pK1:8.47(+1) (25°C)
• Flash Point: 45.6 °C
• PSA: 44.48000
• Density: 0.922 g/cm³
• LogP: 1.04450
• Storage Temp.: Flammables area
• Water Solubility.: soluble
• 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: 53

Purity/Quality:

99% ^*data from raw suppliers

Aminoacetaldehyde diethyl acetal ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi, C, F
• Hazard Codes: Xi,C,F
• Statements: 10-36/37/38-34
• Safety Statements: 23-24/25-26-45-36/37/39-16-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(CN)OCC
• Uses: Aminoacetaldehyde diethyl acetal, is used as an agrochemical intermediate, pharmaceutical, syntheses material intermediate.

Technology Process of 2,2-Diethoxyethylamine

There total 25 articles about 2,2-Diethoxyethylamine 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: 97.0%

2,2-diethoxyacetonitrile (6136-93-2) → 2,2-diethoxy-ethanamine (645-36-3)

Guidance literature:

With hydrazine hydrate; nickel; In ethanol; at 55 ℃;

Reference yield: 83.0%

3-N-(2',2'-diethoxyethyl)quinazolin-4-one (108230-73-5) → anthranilic acid (118-92-3,159201-01-1,50816-84-7,80206-34-4,104809-47-4) + 2,2-diethoxy-ethanamine (645-36-3)

Guidance literature:

With sodium hydroxide; Heating;

DOI:10.1016/S0040-4020(01)87289-6

Reference yield: 80.0%

diethoxyacetaldehyde (5344-23-0) → 2,2-diethoxy-ethanamine (645-36-3)

Guidance literature:

With ammonia; hydrogen; nickel; In ethanol; at 70 ℃; for 0.5h; under 67505.4 Torr;

upstream raw materials:

2,2-diethoxyacetonitrile

1,1-diethoxy-2-nitroethane

(3,4,3',4'-tetramethoxy-bibenzyl-α-ylidenamino)-acetaldehyde diethylacetal

Bromoacetaldehyde diethyl acetal

Downstream raw materials:

(2,2-diethoxy-ethyl)-pyridin-2-ylmethylene-amine

phthalimidoacetaldehyde diethyl acetal

(2,2-diethoxy-ethyl)-carbamic acid ethyl ester

6-methylisoquinoline

Refernces

• 1、 Stambouli, Abdelhamid,Hamedi-Sangsari, Farid,Amouroux, Roger,Chastrette, Francine,Blanc, Alain,Mattioda, Georges. "Les dialkoxy-2,2 ethanals, synthons difonctionnels a deux carbones : preparation par acetalisation du glyoxal et quelques applications en synthese". . p. 95 - 100. Retrieved 2007/10/02.
• 2、 Lewis,Wolfenden. "Thiohemiacetal formation by inhibitory aldehydes at the active site of papain.". . p. 4890,4891. Retrieved 2007/10/05.