3-(ethylamino)-1-Propanol

Base Information

• Chemical Name: 3-(ethylamino)-1-Propanol
• CAS No.: 42055-16-3
• Molecular Formula: C5H13NO
• Molecular Weight: 103.164
• Hs Code.: 2922199090
• European Community (EC) Number: 854-453-1
• DSSTox Substance ID: DTXSID201314127
• Nikkaji Number: J2.103.926H
• Mol file: 42055-16-3.mol

Synonyms:3-(ethylamino)-1-Propanol;42055-16-3;3-(ethylamino)propan-1-ol;MFCD09909394;3-(ethylamino)propanol;3-ethylamino-1-propanol;3-ethyl-amino-1-propanol;SCHEMBL40445;FBXBSCUQZWUZDD-UHFFFAOYSA-N;DTXSID201314127;AKOS009034061;CS-11524;SY023800;CS-0209413;FT-0769151;EN300-95149;A913401;Z138139914

Chemical Property of 3-(ethylamino)-1-Propanol

Chemical Property:

• Boiling Point: 87 °C(Press: 16 Torr)
• PKA: 15.22±0.10(Predicted)
• PSA: 32.26000
• Density: 0.878±0.06 g/cm3(Predicted)
• LogP: 0.36920
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 103.099714038
• Heavy Atom Count: 7
• Complexity: 31.3

Purity/Quality:

97% ^*data from raw suppliers

3-(Ethylamino)-1-propanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCNCCCO
• Uses: 3-(Ethylamino)-1-propanol is an organic reagent used in the synthesis of Amodiaquine analogs used in the treatment of cerebral malaria.

Technology Process of 3-(ethylamino)-1-Propanol

There total 1 articles about 3-(ethylamino)-1-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:

1-Ethyl-1,4,5,6-tetrahydro-[1,2,3]triazine (199595-92-1) → 3-ethylamino-propan-1-ol (42055-16-3) + allylethylamine (2424-02-4) + N-(2-hydroxypropyl)ethylamine (40171-86-6) + ethylamine (75-04-7,85404-22-4) + propionaldehyde (123-38-6)

Guidance literature:

With deuteriated sodium hydroxide; sodium phosphate; In [D₃]acetonitrile; water-d2; at 25 ℃; for 5h; Product distribution;

DOI:10.1021/jo970721p

Reference yield: 96.0%

3-ethylamino-propan-1-ol (42055-16-3) + 4-chlorobenzaldehyde (104-88-1) → 3-ethyl-2-(4-chlorophenyl)tetrahydro-1,3-oxazine (138609-43-5)

Guidance literature:

In benzene; Heating;

Reference yield: 95.0%

3-ethylamino-propan-1-ol (42055-16-3) + benzaldehyde (100-52-7) → 3-ethyl-2-phenyltetrahydro-1,3-oxazine (138609-42-4)

Guidance literature:

In benzene; Heating;

upstream raw materials:

1-Ethyl-1,4,5,6-tetrahydro-[1,2,3]triazine

Downstream raw materials:

Benzilsaeure-

3-ethyl-2-(4-chlorophenyl)tetrahydro-1,3-oxazine

3-ethyl-2-(4-nitro-phenyl)-[1,3]oxazinane

3-ethyl-2-phenyltetrahydro-1,3-oxazine