3-Dimethylaminophenol

Base Information

• Chemical Name: 3-Dimethylaminophenol
• CAS No.: 99-07-0
• Molecular Formula: C8H11NO
• Molecular Weight: 137.181
• Hs Code.: 29222900
• European Community (EC) Number: 202-727-0
• NSC Number: 62017
• UNII: X6Q73Z0ZIJ
• DSSTox Substance ID: DTXSID0025101
• Nikkaji Number: J113.882K
• Wikidata: Q72469122
• ChEMBL ID: CHEMBL225257
• Mol file: 99-07-0.mol

Synonyms:3-(dimethylamino)phenol;3-dimethylaminophenol

Chemical Property of 3-Dimethylaminophenol

Chemical Property:

• Appearance/Colour: brown to purple solid
• Vapor Pressure: 0.00524mmHg at 25°C
• Melting Point: 82-84 °C(lit.)
• Refractive Index: 1.5895
• Boiling Point: 266.5 °C at 760 mmHg
• PKA: 10.06±0.10(Predicted)
• Flash Point: 132.7 °C
• PSA: 23.47000
• Density: 1.089 g/cm³
• LogP: 1.45820
• Storage Temp.: -20°C Freezer
• Sensitive.: Light Sensitive
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• Water Solubility.: SLIGHTLY SOLUBLE
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 137.084063974
• Heavy Atom Count: 10
• Complexity: 103

Purity/Quality:

99% ^*data from raw suppliers

3-(Dimethylamlno)phenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,Xn
• Hazard Codes: Xi,Xn
• Statements: 36/37/38-20/21/22
• Safety Statements: 26-36-36/37/39-22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)C1=CC(=CC=C1)O
• Uses: 3-Dimethylaminophenol can be used as neostigmine bromide intermediate and dye intermediate.

Technology Process of 3-Dimethylaminophenol

There total 35 articles about 3-Dimethylaminophenol 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: 95.0%

3-methoxy-N,N-dimethylaniline (15799-79-8) → 3-Dimethylaminophenol (99-07-0)

Guidance literature:

With boron trichloride; tetra-(n-butyl)ammonium iodide; In dichloromethane; at -78 - 0 ℃; for 1h;

DOI:10.1021/jo9910740

Reference yield: 93.0%

dimethyl amine (124-40-3) + recorcinol (108-46-3) → 3-Dimethylaminophenol (99-07-0)

Guidance literature:

With hydrogen; In water; at 200 ℃; for 3h; under 375.038 Torr; Reagent/catalyst; Autoclave;

DOI:10.1016/j.catcom.2013.12.021

Reference yield: 91.0%

3-Iodophenol (626-02-8) + dimethyl amine (124-40-3) → 3-Dimethylaminophenol (99-07-0)

Guidance literature:

With copper(l) iodide; 6,7-dihydro-5H-quinolin-8-one oxime; potassium hydroxide; In water; at 25 ℃; for 24h; Inert atmosphere;

DOI:10.1002/adsc.201400785

upstream raw materials:

methanol

3-aminophenol hydrochloride

7-dimethylamino-4-methyl-chromen-2-one

N,N-dimethyl-m-aminobenzenesulfonic acid

Downstream raw materials:

4-(3-dimethylamino-phenoxy)-butyric acid ethyl ester

[2]pyridyl-amidothiophosphoric acid O,O'-bis-(3-dimethylamino-phenyl ester)

2-(4'-dimethylamino-2'-hydroxybenzoyl)benzoic acid

ethyl 3-(dimethylamino)phenyl carbonate

Refernces

• 1、 -. "Thiol-reactive derivatives and use thereof". Paragraph 0069-0071. . Retrieved 2017/06/02.
• 2、 Ge, Xin,Luo, Chenxi,Qian, Chao,Yu, Zhiping,Chen, Xinzhi. "RANEY nickel-catalyzed reductive N-methylation of amines with paraformaldehyde: Theoretical and experimental study". . p. 43195 - 43203. Retrieved 2015/02/19.