Phenol, p-(1,3-dimethyl-2-imidazolidinyl)-

Base Information

• Chemical Name: Phenol, p-(1,3-dimethyl-2-imidazolidinyl)-
• CAS No.: 83521-93-1
• Molecular Formula: C11H16 N2 O
• Molecular Weight: 192.261
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID40232424
• Nikkaji Number: J79.318C
• Wikidata: Q83113458
• Mol file: 83521-93-1.mol

Synonyms:Phenol, p-(1,3-dimethyl-2-imidazolidinyl)-;83521-93-1;4-(1,3-dimethylimidazolidin-2-yl)phenol;BRN 5518718;p-(1,3-Dimethyl-2-imidazolidinyl)phenol;SCHEMBL12964307;DTXSID40232424;4-(1,3-Dimethyl-2-imidazolidinyl)phenol;LS-104514

Chemical Property of Phenol, p-(1,3-dimethyl-2-imidazolidinyl)-

Chemical Property:

• Vapor Pressure: 0.000985mmHg at 25°C
• Boiling Point: 293.4°C at 760 mmHg
• Flash Point: 135.1°C
• PSA: 26.71000
• Density: 1.108g/cm³
• LogP: 1.14380
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 192.126263138
• Heavy Atom Count: 14
• Complexity: 180

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: CN1CCN(C1C2=CC=C(C=C2)O)C

Technology Process of Phenol, p-(1,3-dimethyl-2-imidazolidinyl)-

There total 1 articles about Phenol, p-(1,3-dimethyl-2-imidazolidinyl)- 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: 100.0%

4-hydroxy-benzaldehyde (123-08-0,65581-83-1) + N,N`-dimethylethylenediamine (110-70-3) → 4-(1,3-dimethylimidazolidin-2-yl)phenol (83521-93-1)

Guidance literature:

In toluene; for 3h; Reflux;

DOI:10.1021/ol201332u

Reference yield: 46.0%

4-(1,3-dimethylimidazolidin-2-yl)phenol (83521-93-1) → 2-bromo-4-hydroxybenzaldehyde (22532-60-1)

Guidance literature:

4-(1,3-dimethylimidazolidin-2-yl)phenol; With n-butyllithium; In diethyl ether; pentane; at -78 - 20 ℃; for 24h; Inert atmosphere;

With carbon tetrabromide; In diethyl ether; pentane; at -78 - 20 ℃; Inert atmosphere;

With hydrogenchloride; water; In diethyl ether; pentane; at 20 ℃; for 2h;

DOI:10.1021/ol201332u

Reference yield:

4-(1,3-dimethylimidazolidin-2-yl)phenol (83521-93-1) → 4-hydroxy-2-iodobenzaldehyde (90151-01-2)

Guidance literature:

4-(1,3-dimethylimidazolidin-2-yl)phenol; With tert.-butyl lithium; In diethyl ether; pentane; at -78 - 20 ℃; Inert atmosphere;

With 1,2-Diiodoethane; In diethyl ether; pentane; at -78 - 20 ℃; for 0.5h;

upstream raw materials:

4-hydroxy-benzaldehyde

N,N`-dimethylethylenediamine

Downstream raw materials:

ethyl 3-(4-benzyloxy-2-bromophenyl)-2-ethoxyoxirane-2-carboxylate

ethyl 3-bromo-3-(4-benzyloxy-2-bromophenyl)-2-oxopropanoate

C₂₇H₂₇BrO₈

ethyl 6-(3-hydroxypropoxy)-2-(4-(benzyloxy)-2-bromophenyl)-2,3-dihydro-3,4-dihydroxybenzofuran-3-carboxylate