2-[(2-Hydroxypropyl)(phenyl)amino]propan-1-ol

Base Information

• Chemical Name: 2-[(2-Hydroxypropyl)(phenyl)amino]propan-1-ol
• CAS No.: 129118-34-9
• Molecular Formula: C12H19NO2
• Molecular Weight: 209.288
• DSSTox Substance ID: DTXSID90567152

Synonyms:129118-34-9;2-[(2-Hydroxypropyl)(phenyl)amino]propan-1-ol;DTXSID90567152

Chemical Property of 2-[(2-Hydroxypropyl)(phenyl)amino]propan-1-ol

Chemical Property:

• XLogP3: 1.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 209.141578849
• Heavy Atom Count: 15
• Complexity: 169

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CN(C1=CC=CC=C1)C(C)CO)O

Technology Process of 2-[(2-Hydroxypropyl)(phenyl)amino]propan-1-ol

There total 2 articles about 2-[(2-Hydroxypropyl)(phenyl)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:

1,2-propylene cyclic carbonate (108-32-7) + aniline (62-53-3) → 2,6-dimethyl-4-phenylmorpholine (109605-09-6) + 2-anilino-1-propanol (16955-09-2) + 1-anilino-propan-2-ol (3233-06-5) + 2,5-dimethyl-4-phenylmorpholine (1258887-18-1) + N-phenyl-bis-(2-hydroxypropyl)amine (3077-13-2,89750-17-4) + N-(2-hydroxypropyl)-N-(2-hydroxy-1-methylethyl)aniline (129118-34-9)

Guidance literature:

With tri-n-octyl(methyl)phosphonium bromide; at 170 ℃; for 40h; Ionic liquid; Neat (no solvent);

DOI:10.1039/c0ob00105h

Reference yield:

ethyl 2-hydroxypropionate (97-64-3,2676-33-7) + aniline (62-53-3) → N-(2-hydroxypropyl)-N-(2-hydroxy-1-methylethyl)aniline (129118-34-9)

Guidance literature:

With lithium aluminium tetrahydride; sodium ethanolate; Multistep reaction;

Reference yield: 63.0%

N-(2-hydroxypropyl)-N-(2-hydroxy-1-methylethyl)aniline (129118-34-9) → 4,7-Dimethyl-6-phenyl-5,6,7,8-tetrahydro-4H-1,3,2,6-dioxathiazocine 2-Oxide (129118-40-7,129173-25-7,129173-26-8,129173-27-9)

Guidance literature:

With thionyl chloride; triethylamine; In benzene; 1.) 0-5 deg C, 1h, 2.) r.t., 2h;

upstream raw materials:

ethyl 2-hydroxypropionate

aniline

1,2-propylene cyclic carbonate

Downstream raw materials:

4,7-Dimethyl-6-phenyl-5,6,7,8-tetrahydro-4H-1,3,6-dioxazocin-2-one

4,7-Dimethyl-6-phenyl-5,6,7,8-tetrahydro-4H-1,3,2,6-dioxathiazocine 2-Oxide

(2S,4S,7R)-4,7-Dimethyl-6-phenyl-[1,3,2,6]dioxathiazocane 2-oxide

(2R,4S,7R)-4,7-Dimethyl-6-phenyl-[1,3,2,6]dioxathiazocane 2-oxide

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