1-Piperazineethanol, 4-o-tolyl-

Base Information

• Chemical Name: 1-Piperazineethanol, 4-o-tolyl-
• CAS No.: 40004-66-8
• Molecular Formula: C₁₃H₂₀N₂O
• Molecular Weight: 220.315
• Hs Code.: 2933599090
• NSC Number: 86995
• UNII: 3MB4URB7EL
• DSSTox Substance ID: DTXSID50193072
• Nikkaji Number: J117.887C
• Mol file: 40004-66-8.mol

Synonyms:1-Piperazineethanol, 4-o-tolyl-;40004-66-8;4-o-Tolyl-1-piperazineethanol;1-(2-Hydroxyethyl)-4-(o-tolyl)piperazine;3MB4URB7EL;NSC-86995;2-(4-(o-Tolyl)piperazin-1-yl)ethan-1-ol;2-[4-(2-methylphenyl)piperazin-1-yl]ethan-1-ol;NSC 86995;BRN 0199355;NSC86995;2-(4-(o-tolyl)piperazin-1-yl)ethanol;starbld0047665;UNII-3MB4URB7EL;NCIOpen2_005411;4-23-00-00098 (Beilstein Handbook Reference);SCHEMBL7289302;DTXSID50193072;4-(2-Methylphenyl)-1-piperazineethanol;1-Piperazineethanol, 4-(2-methylphenyl)-;F1908-1859

Chemical Property of 1-Piperazineethanol, 4-o-tolyl-

Chemical Property:

• Vapor Pressure: 5.23E-06mmHg at 25°C
• Boiling Point: 366.2°Cat760mmHg
• Flash Point: 182.4°C
• PSA: 26.71000
• Density: 1.079g/cm³
• LogP: 1.11220
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 220.157563266
• Heavy Atom Count: 16
• Complexity: 202

Purity/Quality:

1-(2-HYDROXYETHYL)-4-(ORTHO-TOLYL)PIPERAZINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC=CC=C1N2CCN(CC2)CCO

Technology Process of 1-Piperazineethanol, 4-o-tolyl-

There total 2 articles about 1-Piperazineethanol, 4-o-tolyl- 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:

o-toluidine hydrochloride (636-21-5,22006-17-3) → 2-(4-o-tolyl-piperazino)-ethanol (40004-66-8)

Guidance literature:

Multi-step reaction with 2 steps

2: methanol

With methanol;

DOI:10.1021/ja01636a034

Reference yield:

oxirane (75-21-8,99932-75-9) + 1-(o-toluyl)piperazine (39512-51-1) → 2-(4-o-tolyl-piperazino)-ethanol (40004-66-8)

Guidance literature:

With methanol;

DOI:10.1021/ja01636a034

Reference yield: 55.0%

chloro-trimethyl-silane (75-77-4) + 2-(4-o-tolyl-piperazino)-ethanol (40004-66-8) → 1-o-Tolyl-4-(2-trimethylsilanyloxy-ethyl)-piperazine (89871-88-5)

Guidance literature:

With sodium methylate; In benzene; 1.) 0 deg C, 2.) reflux;

upstream raw materials:

oxirane

1-(o-toluyl)piperazine

o-toluidine hydrochloride

Downstream raw materials:

1-o-Tolyl-4-(2-trimethylsilanyloxy-ethyl)-piperazine

methyl 2-[4-(2-methylphenyl)-1-piperazinyl]ethyl 4-(3-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

3-methyl 5-{2-[4-(2-tolyl)-1-piperazinyl]-ethyl} (+)-1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-pyridine-3,5-dicarboxylate

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