3-[(1-Phenylethyl)amino]propan-1-OL

Base Information

• Chemical Name: 3-[(1-Phenylethyl)amino]propan-1-OL
• CAS No.: 128218-35-9
• Molecular Formula: C₁₁H₁₇NO
• Molecular Weight: 179.262
• DSSTox Substance ID: DTXSID50396122
• Nikkaji Number: J1.693.111J
• Mol file: 128218-35-9.mol

Synonyms:128218-35-9;3-[(1-PHENYLETHYL)AMINO]PROPAN-1-OL;3-[(1-Phenylethyl)amino]-1-propanol;3-(1-phenylethylamino)propan-1-ol;3-((1-Phenylethyl)amino)propan-1-ol;1-Propanol, 3-[(1-phenylethyl)amino]-;58028-69-6;SCHEMBL2117376;DTXSID50396122;OCUYEHFIDUKNIU-UHFFFAOYSA-N;MFCD00466631;3-(1-phenyl-ethylamino)-propan-1-ol;AKOS008967250;SB85070;3-(alpha-Methylbenzylamino)-1-propanol;BS-35672;(+/-)-3-(1-Phenyl-ethylamino)-propan-1-ol;EN300-167226

Chemical Property of 3-[(1-Phenylethyl)amino]propan-1-OL

Chemical Property:

• Vapor Pressure: 0.00083mmHg at 25°C
• Boiling Point: 292.6±23.0 °C(Predicted)
• PKA: 15.02±0.10(Predicted)
• Density: 1.002±0.06 g/cm3(Predicted)
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 179.131014166
• Heavy Atom Count: 13
• Complexity: 121

Purity/Quality:

98% ^*data from raw suppliers

3-[(1-Phenylethyl)amino]-1-propanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C1=CC=CC=C1)NCCCO
• Uses: 3-[(1-Phenylethyl)amino]-1-propanol is an intermediate in the synthesis of Ifosfamide (I265000), a cytostatic agent, related structurally to cyclophosphamide.

Technology Process of 3-[(1-Phenylethyl)amino]propan-1-OL

There total 3 articles about 3-[(1-Phenylethyl)amino]propan-1-OL 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: 93.2%

rac-methylbenzylamine (618-36-0) + 1-chloro-3-hydroxypropane (627-30-5) → 3-<(1-phenylethyl)amino>propanol (128218-35-9)

Guidance literature:

In water; for 5.5h; Heating;

DOI:10.1021/jo00300a037

Reference yield:

formamide (77287-34-4,77287-35-5,60100-09-6) + acetophenone (98-86-2) + propan-1-ol-3-amine (156-87-6) → 3-<(1-phenylethyl)amino>propanol (128218-35-9)

Guidance literature:

at 210 ℃;

Reference yield:

→ 3-<(1-phenylethyl)amino>propanol (128218-35-9)

Guidance literature:

γ-Chlorpropanol, α-Phenylaethylamin;

upstream raw materials:

formamide

acetophenone

propan-1-ol-3-amine

rac-methylbenzylamine

Downstream raw materials:

2-chloro-3-[(S)-α-methylbenzyl]tetrahydro-2H-1,3,2-oxazaphosphorine 2-oxide

2-chloro-N-[2-oxo-3-(1-phenyl-ethyl)-2λ⁵-[1,3,2]oxazaphosphinan-2-yl]-acetamide

C₁₃H₁₈⁽²⁾H₂ClN₂O₂P

3-<(1-phenylethyl)amino>propyl disulfide

Refernces

• 1、 -. "SUBSTITUTED OXAZAPHOSPHORINES". . . Retrieved 2009/08/18.