2-{[Bis(2-hydroxyethyl)amino]methyl}-4-methylphenol

Base Information

• Chemical Name: 2-{[Bis(2-hydroxyethyl)amino]methyl}-4-methylphenol
• CAS No.: 96182-90-0
• Molecular Formula: C12H19NO3
• Molecular Weight: 225.288
• DSSTox Substance ID: DTXSID50566767
• Nikkaji Number: J2.259.911I
• Wikidata: Q82452522
• Mol file: 96182-90-0.mol

Synonyms:96182-90-0;2-{[bis(2-hydroxyethyl)amino]methyl}-4-methylphenol;DTXSID50566767

Chemical Property of 2-{[Bis(2-hydroxyethyl)amino]methyl}-4-methylphenol

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 408.493oC at 760 mmHg
• PKA: 10.14±0.43(Predicted)
• Flash Point: 221.776oC
• PSA: 63.93000
• Density: 1.194g/cm3
• LogP: 0.48720
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 225.13649347
• Heavy Atom Count: 16
• Complexity: 183

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1)O)CN(CCO)CCO

Technology Process of 2-{[Bis(2-hydroxyethyl)amino]methyl}-4-methylphenol

There total 1 articles about 2-{[Bis(2-hydroxyethyl)amino]methyl}-4-methylphenol 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: 82.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + p-cresol (106-44-5) + 2,2'-iminobis[ethanol] (111-42-2) → 2-{[bis-(2-hydroxy-ethyl)-amino]-methyl}-4-methylphenol (96182-90-0)

Guidance literature:

With pyrographite; In water; at 100 ℃;

DOI:10.1139/V08-026

Reference yield: 36.0%

2-{[bis-(2-hydroxy-ethyl)-amino]-methyl}-4-methylphenol (96182-90-0) + sodium tetraphenyl borate (143-66-8) + nickel(II) acetate tetrahydrate (6018-89-9) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → [Ni2(2-{[bis-(2-hydroxy-ethyl)-amino]-methyl}-4-methylphenol)2(OAc)](BPh4)·N,N-dimethylformamide

Guidance literature:

2-{[bis-(2-hydroxy-ethyl)-amino]-methyl}-4-methylphenol; nickel(II) acetate tetrahydrate; With triethylamine; In methanol; water; for 3h; Reflux;

sodium tetraphenyl borate; In methanol; water; for 2h; Reflux;

N,N-dimethyl-formamide;

DOI:10.1080/00958972.2017.1327047

upstream raw materials:

formaldehyd

p-cresol

2,2'-iminobis[ethanol]