2,2'-((3-(Trifluoromethyl)phenyl)azanediyl)diethanol

Base Information

• Chemical Name: 2,2'-((3-(Trifluoromethyl)phenyl)azanediyl)diethanol
• CAS No.: 323-79-5
• Molecular Formula: C11H14 F3 N O2
• Molecular Weight: 249.2296
• Hs Code.: 2922199090
• NSC Number: 103356
• DSSTox Substance ID: DTXSID80295614
• Wikidata: Q82035636
• Mol file: 323-79-5.mol

Synonyms:323-79-5;2,2'-((3-(Trifluoromethyl)phenyl)azanediyl)diethanol;2,2'-{[3-(trifluoromethyl)phenyl]imino}diethanol;2-[N-(2-hydroxyethyl)-3-(trifluoromethyl)anilino]ethanol;2,2'-((3-(trifluoromethyl)phenyl)imino)diethanol;NSC103356;Ethanol,2,2'-[[3-(trifluoroMethyl)phenyl]iMino]bis-;SCHEMBL10700469;DTXSID80295614;CSXRYPPKUCHPDW-UHFFFAOYSA-N;ADAL1211899;MFCD00045980;AKOS016006523;NSC-103356;s10642;DS-16511;CS-0156897;2,2'-{[3-(Trifluoromethyl)phenyl]azanediyl}di(ethan-1-ol);2-[(2-hydroxyethyl)[3-(trifluoromethyl)phenyl]amino]ethan-1-ol

Chemical Property of 2,2'-((3-(Trifluoromethyl)phenyl)azanediyl)diethanol

Chemical Property:

• Melting Point: 92-93 °C
• Boiling Point: 362.4°Cat760mmHg
• PKA: 14.24±0.10(Predicted)
• Flash Point: 173°C
• PSA: 43.70000
• Density: 1.318g/cm³
• LogP: 1.49640
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 249.09766318
• Heavy Atom Count: 17
• Complexity: 217

Purity/Quality:

98%min ^*data from raw suppliers

2,2'-((3-(Trifluoromethyl)phenyl)azanediyl)diethanol 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)N(CCO)CCO)C(F)(F)F

Technology Process of 2,2'-((3-(Trifluoromethyl)phenyl)azanediyl)diethanol

There total 3 articles about 2,2'-((3-(Trifluoromethyl)phenyl)azanediyl)diethanol 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: 51.0%

oxirane (75-21-8,99932-75-9) + 3-trifluoromethylaniline (98-16-8) → 2-{[3-(trifluoromethyl)phenyl]amino}ethan-1-ol (402-37-9) + N,N-bis(2-hydroxyethyl)-3-trifluoromethylaniline (323-79-5)

Guidance literature:

With carbon dioxide; ytterbium(III) triflate; at 55 ℃; for 10h; under 75006 Torr;

DOI:10.1016/S0022-1139(03)00083-6

Reference yield:

oxirane (75-21-8,99932-75-9) + 3-trifluoromethylaniline (98-16-8) → N,N-bis(2-hydroxyethyl)-3-trifluoromethylaniline (323-79-5)

Guidance literature:

DOI:10.1021/jo01064a039

Reference yield:

→ N,N-bis(2-hydroxyethyl)-3-trifluoromethylaniline (323-79-5)

Guidance literature:

m-Trifluormethylanilin, Ethylenchlorhydrin;

upstream raw materials:

oxirane

3-trifluoromethylaniline

Downstream raw materials:

2,2'-[4-(6-trifluoromethoxy-benzothiazol-2-ylazo)-3-trifluoromethyl-phenylazanediyl]-bis-ethanol

2,2'-[4-(6-trifluoromethanesulfinyl-benzothiazol-2-ylazo)-3-trifluoromethyl-phenylazanediyl]-bis-ethanol

2,2'-[4-(6-trifluoromethanesulfonyl-benzothiazol-2-ylazo)-3-trifluoromethyl-phenylazanediyl]-bis-ethanol

2,2'-[3-trifluoromethyl-4-(6-trifluoromethylsulfanyl-benzothiazol-2-ylazo)-phenylazanediyl]-bis-ethanol

Refernces