2-Anilinoethanol

Base Information

• Chemical Name: 2-Anilinoethanol
• CAS No.: 122-98-5
• Molecular Formula: C8H11NO
• Molecular Weight: 137.181
• Hs Code.: 29221990
• European Community (EC) Number: 204-588-1
• NSC Number: 8393
• UNII: 630DL2N96B
• DSSTox Substance ID: DTXSID8059550
• Nikkaji Number: J38.358I
• Wikidata: Q15632814
• ChEMBL ID: CHEMBL1908069
• Mol file: 122-98-5.mol

Synonyms:2-anilinoethanol;N-phenylethanolamine;phenylglycinol

Chemical Property of 2-Anilinoethanol

Chemical Property:

• Appearance/Colour: Clear yellow to brown liquid
• Vapor Pressure: <0.01 mm Hg ( 20 °C)
• Melting Point: -30 °C
• Refractive Index: 1.578
• Boiling Point: 286.882 °C at 760 mmHg
• PKA: 14.39±0.10(Predicted)
• Flash Point: 151.359 °C
• PSA: 32.26000
• Density: 1.116 g/cm³
• LogP: 1.16380
• Storage Temp.: Store below +30°C.
• Solubility.: 4.5g/l
• Water Solubility.: 53 g/L (20 ºC)
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 137.084063974
• Heavy Atom Count: 10
• Complexity: 79.3

Purity/Quality:

99.9% ^*data from raw suppliers

PEA ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 24-41-48/20/21/22-36-R36-R24
• Safety Statements: 26-36/37/39-45-28A-S45-S36/37/39-S28A-S26

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Nitrogen Compounds -> Ethanolamines
• Canonical SMILES: C1=CC=C(C=C1)NCCO
• Uses: N-Phenylethanolamine is used as an intermediate for dyes and other organic compounds. Further, it is used as a substrate for human olfactory uridine 5'-diphospho-glucuronosyltransferase. N-(2-Hydroxyethyl)aniline was employed as substrate for human olfactory UDP-glucuronosyltransferase.

Technology Process of 2-Anilinoethanol

There total 61 articles about 2-Anilinoethanol 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: 99.0%

iodobenzene (591-50-4) + ethanolamine (141-43-5) → 2-Anilinoethanol (122-98-5)

Guidance literature:

With copper(l) chloride; potassium hydroxide; at 20 ℃; for 8h; Neat (no solvent);

DOI:10.1016/j.tetlet.2011.12.130

Reference yield: 99.0%

bromobenzene (108-86-1,52753-63-6) + ethanolamine (141-43-5) → 2-Anilinoethanol (122-98-5)

Guidance literature:

With copper(l) chloride; potassium hydroxide; at 90 ℃; for 8h; Neat (no solvent);

DOI:10.1016/j.tetlet.2011.12.130

Reference yield: 96.0%

ethanolamine (141-43-5) + phenylboronic acid (98-80-6) → 2-Anilinoethanol (122-98-5)

Guidance literature:

With [copper(II)]2-β-cyclodextrin complex; In water; at 20 ℃; for 24h; chemoselective reaction;

DOI:10.1002/ejoc.201100994

upstream raw materials:

oxirane

aniline

N-phenylglycine ethyl ester

1-chloro-2-phenylcarbamoyloxy-ethane

Downstream raw materials:

N-phenyl-2-oxazolidinone

N-(2-acetoxyethyl)aniline

N-(2-hydroxy-ethyl)-N-phenyl-N'-p-tolyl-thiourea

2,3-Diphenyl-1,3-oxazolidine

Refernces

• 1、 Kantam, M. Lakshmi,Pal, Ujjwal,Sreedhar,Choudary. "An efficient synthesis of organic carbonates using nanocrystalline magnesium oxide". . p. 1671 - 1675. Retrieved 2007.
• 2、 Bodhak, Chandan,Kundu, Ashis,Pramanik, Animesh. "An efficient and recyclable chitosan supported copper(II) heterogeneous catalyst for C-N cross coupling between aryl halides and aliphatic diamines". . p. 419 - 424. Retrieved 2015.
• 3、 -. "LIPID NANOPARTICLE COMPOSITION". Paragraph 00393. . Retrieved 2021/10/15.
• 4、 Guo, Hui,Hao, Jia,Sun, Tingting,Wang, Zuoyao,Cao, Jian,Zhang, Guobao. "Green synthesis of N-(2-hydroxyethyl)anilines by the selective alkylation reaction in H2O". . p. 1 - 6. Retrieved 2020/07/21.