3-(Diethylamino)phenol

Base Information

• Chemical Name: 3-(Diethylamino)phenol
• CAS No.: 91-68-9
• Molecular Formula: C10H15NO
• Molecular Weight: 165.235
• Hs Code.: 29222900
• European Community (EC) Number: 202-090-9
• NSC Number: 93934
• UN Number: 2512
• UNII: BQY98Q7YU5
• DSSTox Substance ID: DTXSID9025037
• Nikkaji Number: J134.659H
• Wikidata: Q27274827
• ChEMBL ID: CHEMBL1420719
• Mol file: 91-68-9.mol

Synonyms:3-(Diethylamino)phenol;3-DIETHYLAMINOPHENOL;91-68-9;Phenol, 3-(diethylamino)-;N,N-Diethyl-m-aminophenol;N,N-Diethyl-3-aminophenol;3-Hydroxy-N,N-diethylaniline;m-(Diethylamino)phenol;Phenol, m-(diethylamino)-;N,N-Diethyl-3-hydroxyaniline;3-(Diethylamino) Phenol;NSC 93934;CCRIS 4615;EINECS 202-090-9;MFCD00002265;UNII-BQY98Q7YU5;BRN 0908212;3-(N,N-diethylamino)phenol;BQY98Q7YU5;AI3-14895;DTXSID9025037;NSC-93934;EC 202-090-9;4-13-00-00969 (Beilstein Handbook Reference);m-Diethylaminophenol;NSC93934;O0Y;3- diethylaminophenol;3-diethylamino phenol;3-diethylamino-phenol;RODOL DEMAP;3-(diethylamino)-phenol;3-n,n-diethylaminophenol;3-Fluoro-beta-nitrostyrene;3-Diethylaminophenol, 97%;m-hydroxy-n,n-diethylaniline;3-(N,N-diethlyamino)phenol;BIDD:GT0214;SCHEMBL124477;DIETHYLAMINOPHENOL, 3-;DTXCID205037;CHEMBL1420719;ADAL1182432;Tox21_200238;STL264114;AKOS000118745;CCG-357319;CS-W004052;LS-1928;SB75725;CAS-91-68-9;N,N-DIETHYL-3-HYDROXYBENZENAMINE;s12396;NCGC00091617-01;NCGC00091617-02;NCGC00257792-01;AS-14538;N,N-DIETHYL-M-AMINOPHENOL [INCI];SY036932;D0470;FT-0688169;EN300-19435;3-diethylaminophenol;A860259;J-512392;Q27274827;F0001-2221;Z104473836

Chemical Property of 3-(Diethylamino)phenol

Chemical Property:

• Appearance/Colour: White rhombus crystal
• Vapor Pressure: 0.00259mmHg at 25°C
• Melting Point: 70-73 °C
• Refractive Index: 1.564
• Boiling Point: 278 °C at 760 mmHg
• PKA: 10.08±0.10(Predicted)
• Flash Point: 139.1 °C
• PSA: 23.47000
• Density: 1.04 g/cm³
• LogP: 2.23840
• Storage Temp.: Refrigerator
• Solubility.: 4.087g/L in organic solvents at 20 ℃
• Water Solubility.: <0.1 g/100 mL at 20.5℃
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 165.115364102
• Heavy Atom Count: 12
• Complexity: 123
• Transport DOT Label: Poison

Purity/Quality:

98% ^*data from raw suppliers

3-Diethylaminophenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T,Xi
• Hazard Codes: T,Xi
• Statements: 25-36/37/38
• Safety Statements: 36/37/39-45-22-26-36-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Nitrogen Compounds -> Amino Phenols
• Canonical SMILES: CCN(CC)C1=CC(=CC=C1)O
• Uses: 3-Diethylaminophenol is used as a reagent in the synthesis of coumarin- and rhodamine-fused deep red fluorescent dyes. 3-Diethylaminophenol was used as starting reagent for the synthesis of silyloxyaniline. It was used in the synthesis of Nile Red and its hydroxy-derivative.

Technology Process of 3-(Diethylamino)phenol

There total 20 articles about 3-(Diethylamino)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: 98.5%

2-monochlorophenol (95-57-8) + diethylamine (109-89-7) → 3-diethylaminophenol (91-68-9)

Guidance literature:

With sodium amide; at 5 ℃; for 0.583333h;

Reference yield: 96.3%

N,N-diethyl-1,3-benzenediamine (26513-20-2) → 3-diethylaminophenol (91-68-9)

Guidance literature:

With sulfuric acid; sodium nitrite; In water; at 0 - 60 ℃; for 16h;

Reference yield: 68.0%

diethylamine (109-89-7) + recorcinol (108-46-3) → 3-diethylaminophenol (91-68-9)

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

upstream raw materials:

diethyl ether

2-hydroxybromobenzene

lithium diethylamide

ethanol

Downstream raw materials:

2'-Carboxy-4-diethylamino-2-hydroxybenzophenon

3-(diethylamino)phenyl acetate

N,N-diethyl-3-methoxyaniline

dimethyl-amidophosphoric acid bis-(3-diethylamino-phenyl ester)

Refernces

• 1、 -. "Method for synthesizing M-diethylaminophenol". Paragraph 0016-0020. . Retrieved 2021/01/15.
• 2、 -. "Method for continuously synthesizing meta-di-alkane aminophenol". Paragraph 0020; 0032. . Retrieved 2019/01/23.