1-Diethylamino-2-propanol

Base Information

• Chemical Name: 1-Diethylamino-2-propanol
• CAS No.: 4402-32-8
• Deprecated CAS: 78738-36-0
• Molecular Formula: C7H17NO
• Molecular Weight: 131.218
• Hs Code.: 29221985
• European Community (EC) Number: 224-537-7
• NSC Number: 6304
• DSSTox Substance ID: DTXSID40883551
• Nikkaji Number: J115.921F
• Mol file: 4402-32-8.mol

Synonyms:1-Diethylamino-2-propanol;4402-32-8;1-(diethylamino)propan-2-ol;1-(Diethylamino)-2-propanol;2-Propanol, 1-(diethylamino)-;1-Diethylaminopropan-2-ol;NSC 6304;EINECS 224-537-7;NSC6304;l-diethylamino-propan-2-ol;SCHEMBL9160;1-diethylamino-propan-2-ol;DTXSID40883551;NSC-6304;MFCD00004535;AKOS005111038;s11919;AS-81234;CS-0152029;D0471;FT-0605824;J-200134

Chemical Property of 1-Diethylamino-2-propanol

Chemical Property:

• Appearance/Colour: clear colorless to slightly yellow liquid
• Vapor Pressure: 1.04mmHg at 25°C
• Melting Point: 13.5 °C(lit.)
• Refractive Index: n20/D 1.425(lit.)
• Boiling Point: 156.5 °C at 760 mmHg
• PKA: 14.81±0.20(Predicted)
• Flash Point: 33.3 °C
• PSA: 23.47000
• Density: 0.879 g/cm³
• LogP: 0.70900
• Storage Temp.: Flammables area
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 131.131014166
• Heavy Atom Count: 9
• Complexity: 61.9

Purity/Quality:

99.9% ^*data from raw suppliers

1-Diethylamino-2-propanol >98.0%(GC)(T) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 10-36/37/38
• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CC)CC(C)O

Technology Process of 1-Diethylamino-2-propanol

There total 11 articles about 1-Diethylamino-2-propanol 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: 94.0%

diethylamine (109-89-7) + methyloxirane (75-56-9,16033-71-9) → 1-diethylamino-2-propanol (4402-32-8)

Guidance literature:

lithium tetrafluoroborate; In acetonitrile; for 0.5h; Ambient temperature;

DOI:10.1016/S0040-4039(00)97701-3

Reference yield:

carbon dioxide (124-38-9,18923-20-1) + diethylamine (109-89-7) + methyloxirane (75-56-9,16033-71-9) → 2-hydroxypropyl diethyl carbamate (37499-12-0) + 1-diethylamino-2-propanol (4402-32-8)

Guidance literature:

With (5,10,15,20-tetraphenylporphinato)aluminum acetate; In chloroform; for 204h; Product distribution; Ambient temperature; investigation effect of pressure of CO₂, temperature and reaction time;

DOI:10.1021/ja00263a008

Reference yield:

1-diethylamino-2-trimethylsiloxypropane (78679-31-9,78679-32-0,95207-38-8) → 1-diethylamino-2-propanol (4402-32-8)

Guidance literature:

With hydrogenchloride; In diethyl ether; at 0 ℃;

upstream raw materials:

1-(diethylamino)propan-2-one

1-bromo-2-propanol

diethylamine

1-Chloro-2-propanol

Downstream raw materials:

4-tert.-Butyl-benzoesaeure-<1-diethylamino-propyl-(2)-ester>

2-methoxy-benzoic acid-(β-diethylamino-isopropyl ester)

(+/-)-2-Aethoxy-5-fluor-benzoesaeure-<2-diaethylamino-1-methyl-aethylester>

(+/-)-4-Aethoxy-3-fluor-benzoesaeure-<2-diaethylamino-1-methyl-aethylester>

Refernces

• 1、 -. "A preparation method of promethazine hydrochloride (by machine translation)". Paragraph 0020; 0021. . Retrieved 2017/06/02.
• 2、 Talybov,Abbasov,Mamedbeili,Kochetkov. "Regioselective ring opening in epoxides under the action of amines in water medium". experimental part. p. 1819 - 1824. Retrieved 2011/02/24.