3-(Diethylamino)-1,2-propanediol

Base Information

• Chemical Name: 3-(Diethylamino)-1,2-propanediol
• CAS No.: 621-56-7
• Deprecated CAS: 2304999-08-2
• Molecular Formula: C7H17NO2
• Molecular Weight: 147.217
• Hs Code.: 29221980
• European Community (EC) Number: 210-693-3
• NSC Number: 97206
• DSSTox Substance ID: DTXSID20862309
• Nikkaji Number: J43.150H
• Mol file: 621-56-7.mol

Synonyms:3-(Diethylamino)-1,2-propanediol;621-56-7;3-(Diethylamino)propane-1,2-diol;1,2-Propanediol, 3-(diethylamino)-;3-Diethylamino-1,2-propanediol;EINECS 210-693-3;NSC 97206;NSC97206;3-(N,N-Diethylamino)-1,2-propanediol;N,N-Diethylglycerylamine;SCHEMBL135129;3-diethylaminopropane-1,2-diol;LTACQVCHVAUOKN-UHFFFAOYSA-;DTXSID20862309;3-(Diethylamino)-12-propanediol;ADAL1187096;MFCD00004716;NSC-97206;AKOS005206948;n,n-diethyl-3-amino-1,2-propanediol;BS-22428;3-(Diethylamino)-1,2-propanediol, 98%;CS-0197327;D1721;FT-0613752;E78106;W-105039

Chemical Property of 3-(Diethylamino)-1,2-propanediol

Chemical Property:

• Appearance/Colour: clear colorless to yellow viscous liquid
• Vapor Pressure: 0.00999mmHg at 25°C
• Melting Point: -30 °C
• Refractive Index: n20/D 1.4602(lit.)
• Boiling Point: 234 °C at 760 mmHg
• PKA: 14.00±0.20(Predicted)
• Flash Point: 107.8 °C
• PSA: 43.70000
• Density: 1.003 g/cm³
• LogP: -0.31860
• Storage Temp.: Inert atmosphere,Room Temperature
• Water Solubility.: miscible
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 147.125928785
• Heavy Atom Count: 10
• Complexity: 74

Purity/Quality:

3-(Diethylamino)-1,2-propanediol >98.0%(GC)(T) ^*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

Useful:

• Chemical Classes: Nitrogen Compounds -> Amino Alcohols, Other
• Canonical SMILES: CCN(CC)CC(CO)O

Technology Process of 3-(Diethylamino)-1,2-propanediol

There total 4 articles about 3-(Diethylamino)-1,2-propanediol 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: 75.0%

oxiranyl-methanol (556-52-5) + diethylamine (109-89-7) → 3-(diethylamino)-1,2-propanediol (621-56-7)

Guidance literature:

at 20 ℃; for 2h; Solvent; Time;

DOI:10.1021/ol500518n

Reference yield:

oxiranyl-methanol (556-52-5) + diethylamine (109-89-7) → 3-(diethylamino)-1,2-propanediol (621-56-7) + 1,3-dihydroxy-2-diethylamino-propane (78531-46-1)

Guidance literature:

at 50 ℃; for 16h; Overall yield = 89.7 %; Overall yield = 7.61 g;

Reference yield:

diethyl-(2,2-dimethyl-[1,3]dioxolan-4-ylmethyl)-amine → 3-(diethylamino)-1,2-propanediol (621-56-7)

Guidance literature:

diethyl-(2,2-dimethyl-[1,3]dioxolan-4-ylmethyl)-amine; With hydrogenchloride; water; at 20 ℃;

With sodium methylate; In methanol; at 20 ℃;

DOI:10.1016/j.mencom.2019.01.008

upstream raw materials:

oxiranyl-methanol

diethylamine

3-monochloro-1,2-propanediol

Downstream raw materials:

5-Chloro-N₄-cyclopropyl-N₂-(3-{4-[(diethylamino)methyl]-1,3-dioxolan-2-yl}phenyl)-pyrimidine-2,4-diamine

2-benzoyloxy-3-diethylamino-propan-1-ol

3-diethylamino-2-hydroxypropyl benzoate

Refernces

• 1、 -. "PROCESS FOR PREPARING ALKANOLAMINES USEFUL IN REMOVAL OF ACID-GAS FROM A GASEOUS STREAM". Page/Page column 40. . Retrieved 2015/12/08.