2-(2-Chlorophenyl)ethanol

Base Information

• Chemical Name: 2-(2-Chlorophenyl)ethanol
• CAS No.: 19819-95-5
• Molecular Formula: C8H9ClO
• Molecular Weight: 156.612
• Hs Code.: 29052900
• European Community (EC) Number: 243-348-0
• UNII: 3JVZ9G2VBD
• DSSTox Substance ID: DTXSID40173540
• Nikkaji Number: J290I
• Wikidata: Q72456354
• Mol file: 19819-95-5.mol

Synonyms:2-(2-Chlorophenyl)ethanol;19819-95-5;2-Chlorophenethyl alcohol;Benzeneethanol, 2-chloro-;2-(2-Chlorophenyl)Ethan-1-Ol;2-Chlorophenethylalcohol;o-Chlorophenethyl alcohol;o-Chlorophenethylic alcohol;o-Chlorophenylmethylcarbinol;2-Chlorobenzeneethanol;MFCD00002888;EINECS 243-348-0;chlorobenzene-ethanol;3JVZ9G2VBD;SCHEMBL624730;2-(2-chloro-phenyl)-ethanol;2-(2-Chlorophenyl)ethanol #;2-Chlorophenethyl alcohol, 98%;IWNHTCBFRSCBQK-UHFFFAOYSA-;DTXSID40173540;CHEBI:194660;AKOS009156778;CS-W017988;AS-19437;SY005018;C2169;FT-0722946;EN300-1252139;A853221;METHYL4,6-DICHLORO-QUINOLINE-2-CARBOXYLATE;J-012802

Chemical Property of 2-(2-Chlorophenyl)ethanol

Chemical Property:

• Appearance/Colour: clear colorless liquid
• Vapor Pressure: 0.0435mmHg at 25°C
• Refractive Index: n20/D 1.551(lit.)
• Boiling Point: 227.5 °C at 760 mmHg
• PKA: 14.72±0.10(Predicted)
• Flash Point: 101.1 °C
• PSA: 20.23000
• Density: 1.189 g/cm³
• LogP: 1.87480
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 156.0341926
• Heavy Atom Count: 10
• Complexity: 95.3

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-(2-Chlorophenyl)ethanol ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)CCO)Cl
• Uses: 2-Chlorophenethyl alcohol may be used in the chemical synthesis of amines.

Technology Process of 2-(2-Chlorophenyl)ethanol

There total 8 articles about 2-(2-Chlorophenyl)ethanol 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: 89.0%

methyl (2-chlorophenyl)acetate (57486-68-7) → 2-(2-chlorophenyl)-1-ethanol (19819-95-5)

Guidance literature:

methyl (2-chlorophenyl)acetate; With sodium triethylborohydride; In diethyl ether; toluene; at 20 ℃; for 8h; Inert atmosphere;

With sodium hydroxide; In methanol; diethyl ether; toluene; at 20 ℃; for 2h;

DOI:10.1002/chem.201502942

Reference yield: 88.0%

2'-chloro-benzeneacetic acid (2444-36-2) → 2-(2-chlorophenyl)-1-ethanol (19819-95-5)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; 1.) RT, 0.5 h, 2.) reflux, 2 h;

DOI:10.1021/jm00138a007

Reference yield:

2-chlorostyrene (2039-87-4,107830-52-4,26125-41-7) → (S)-1-(2'-chlorophenyl)ethanol (13524-04-4,120466-66-2,132437-66-2,131864-71-6) + 2-(2-chlorophenyl)-1-ethanol (19819-95-5) + (R)-1-(o-chlorophenyl)ethanol (13524-04-4,131864-71-6,132437-66-2,120466-66-2)

Guidance literature:

2-chlorostyrene; With benzo[1,3,2]dioxaborole; rhodium complex 8; In toluene; at 20 ℃; for 2h;

With sodium hydroxide; water; dihydrogen peroxide; In toluene; at 20 ℃; for 2h; Title compound not separated from byproducts;

DOI:10.1002/(SICI)1521-3765(19990401)5:4<1320::AID-CHEM1320>3.0.CO;2-#

upstream raw materials:

2-(2-iodophenyl)ethan-1-ol

2'-chloro-benzeneacetic acid

2-chlorophenylacetic acid ethyl ester

2-chlorostyrene

Downstream raw materials:

1-(2-bromoethyl)-2-chlorobenzene

methanesulfonic acid 2-(2-chlorophenyl)ethyl ester

2.3-dihydrobenzofuran

2-methylchlorobenzene

Refernces

• 1、 -. "Dihydroxy pyrimidine compound and use thereof". Paragraph 0026-0028. . Retrieved 2019/07/04.
• 2、 Imaeda, Toshihiro,Ono, Koji,Nakai, Kazuo,Hori, Yasunobu,Matsukawa, Jun,Takagi, Terufumi,Fujioka, Yasushi,Tarui, Naoki,Kondo, Mitsuyo,Imanishi, Akio,Inatomi, Nobuhiro,Kajino, Masahiro,Itoh, Fumio,Nishida, Haruyuki. "Discovery, synthesis, and structure-activity relations of 3,4-dihydro-1H-spiro(naphthalene-2,2′-piperidin)-1-ones as potassium-competitive acid blockers". . p. 3719 - 3735. Retrieved 2017/06/13.