3-[1-(Dimethylamino)ethyl]phenol

Base Information

• Chemical Name: 3-[1-(Dimethylamino)ethyl]phenol
• CAS No.: 105601-04-5
• Molecular Formula: C10H15NO
• Molecular Weight: 165.235
• Hs Code.: 2922290090
• European Community (EC) Number: 600-665-2
• DSSTox Substance ID: DTXSID20328334
• Nikkaji Number: J801.728J
• Mol file: 105601-04-5.mol

Synonyms:3-(1-dimethylaminoethyl)phenol;NAP 226-90;NAP-226-90;NAP226-90

Chemical Property of 3-[1-(Dimethylamino)ethyl]phenol

Chemical Property:

• Appearance/Colour: pale brown solid
• Vapor Pressure: 0.0233mmHg at 25°C
• Melting Point: 87-89°C
• Refractive Index: 1.539
• Boiling Point: 241.3 °C at 760 mmHg
• PKA: 9.86±0.10(Predicted)
• Flash Point: 97.2 °C
• PSA: 23.47000
• Density: 1.021 g/cm³
• LogP: 2.01480
• Storage Temp.: -20?C Freezer
• Solubility.: soluble in Methanol
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 165.115364102
• Heavy Atom Count: 12
• Complexity: 136

Purity/Quality:

99% ^*data from raw suppliers

3-[1-(Dimethylamino)ethyl]phenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 25-41
• Safety Statements: 26-39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C1=CC(=CC=C1)O)N(C)C
• Uses: An active (major) metabolite of Rivastigmine

Technology Process of 3-[1-(Dimethylamino)ethyl]phenol

There total 18 articles about 3-[1-(Dimethylamino)ethyl]phenol 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: 87.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 3-((1-methylimino)ethyl)phenol → (+/-)-3-<1-(Dimethylamino)ethyl>phenol (105601-04-5)

Guidance literature:

With formic acid; at 120 ℃; for 12h; Temperature;

Reference yield: 85.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 3-((1-methylamino)ethyl)phenol (923035-06-7) → (+/-)-3-<1-(Dimethylamino)ethyl>phenol (105601-04-5)

Guidance literature:

With hydrogen; nickel; In methanol; at 80 ℃; for 3 - 4h; under 7355.72 Torr; Product distribution / selectivity;

Reference yield: 85.0%

3-((1-methylamino)ethyl)phenol (923035-06-7) → (+/-)-3-<1-(Dimethylamino)ethyl>phenol (105601-04-5)

Guidance literature:

With formaldehyd; hydrogen; In methanol; aluminum nickel; toluene; Petroleum ether; Product distribution / selectivity;

upstream raw materials:

N,N-dimethyl-α-(m-methoxyphenyl)ethylamine

formaldehyd

3-((1-methylamino)ethyl)phenol

1-chloro-1-(3'-methoxyphenyl)ethane

Downstream raw materials:

(+)-3-(1-dimethylamino-ethyl)-phenol

(-)-3-(1-dimethylamino-ethyl)-phenol

methyl-carbamic acid-[3-(1-dimethylamino-ethyl)-phenyl ester]

(-)-methyl-carbamic acid-[3-(1-dimethylamino-ethyl)-phenyl ester]

Refernces

• 1、 Tarasewicz, Anika,Ensan, Deeba,Batey, Robert A.. "An Alumino-Mannich Reaction of Organoaluminum Reagents, Silylated Amines, and Aldehydes". supporting information. p. 6071 - 6074. Retrieved 2018/04/27.
• 2、 -. "A 3 - [1 - (dimethylamino) ethyl] phenol preparation method". Paragraph 0041-0046; 0051-0053; 0063-0071. . Retrieved 2017/09/01.