1-(2,4-Dichlorophenyl)ethanol

Base Information

• Chemical Name: 1-(2,4-Dichlorophenyl)ethanol
• CAS No.: 1475-13-4
• Molecular Formula: C8H8 Cl2 O
• Molecular Weight: 191.057
• Hs Code.: 2906299090
• European Community (EC) Number: 216-019-4
• UNII: D44O14048Q
• DSSTox Substance ID: DTXSID90933131
• Nikkaji Number: J206.681E
• Wikidata: Q27276072
• ChEMBL ID: CHEMBL3989006
• Mol file: 1475-13-4.mol

Synonyms:1-(2,4-dichlorophenyl)ethanol;1475-13-4;2,4-Dichloro-alpha-methylbenzyl alcohol;1-(2,4-dichlorophenyl)ethan-1-ol;UNII-D44O14048Q;EINECS 216-019-4;MFCD00004511;1-(2,4-Dichlorophenyl)ethyl Alcohol;2,4-Dichloro-alpha-methylbenzylalcohol;D44O14048Q;2,4-Dichloro-.alpha.-methylbenzyl alcohol;2,4-DICHLORO-a-METHYLBENZYL ALCOHOL;Benzenemethanol, 2,4-dichloro-.alpha.-methyl-;SCHEMBL2295891;CHEMBL3989006;1-(2,4-dichloro-phenyl)ethanol;DTXSID90933131;BAA47513;AKOS000249113;AKOS016050400;2,4-Dichloro-+/--methylbenzyl Alcohol;2,4-dichloro-1-(1-hydroxyethyl)benzene;2,4-Dichloro-alpha-methylbenzenemethanol;AS-31318;SY005062;1-(2',4'-DICHLOROPHENYL)ETHANOL;Benzenemethanol, 2,4-dichloro-alpha-methyl-;Benzyl alcohol, 2,4-dichloro-alpha-methyl-;CS-0154131;D4508;FT-0610034;EN300-50976;(+/-)-1-(2,4-DICHLOROPHENYL)ETHANOL;2,4-DICHLORO-.ALPHA.-METHYLBENZENEMETHANOL;1-(2,4-DICHLOROPHENYL)ETHANOL, (+/-)-;J-008365;Q27276072;Z335245158

Chemical Property of 1-(2,4-Dichlorophenyl)ethanol

Chemical Property:

• Vapor Pressure: 0.00331mmHg at 25°C
• Refractive Index: 1.559-1.561
• Boiling Point: 270.7°Cat760mmHg
• Flash Point: 115.6°C
• PSA: 20.23000
• Density: 1.323g/cm³
• LogP: 3.04670
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 189.9952203
• Heavy Atom Count: 11
• Complexity: 129

Purity/Quality:

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

1-(2,4-Dichlorophenyl)ethanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 37/39-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C1=C(C=C(C=C1)Cl)Cl)O

Technology Process of 1-(2,4-Dichlorophenyl)ethanol

There total 13 articles about 1-(2,4-Dichlorophenyl)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: 100.0%

→ 2,4-dichloro-α-methylbenzyl alcohol (1475-13-4,415679-40-2)

Guidance literature:

With C₃₇H₄₃MoN₃O₂P; sodium triethylborohydride; isopropyl alcohol; sodium hydroxide; In tetrahydrofuran; at 90 ℃; for 2h; Schlenk technique; Inert atmosphere;

Reference yield: 99.0%

1-(2,4-dichlorophenyl)ethan-1-one (2234-16-4) → 2,4-dichloro-α-methylbenzyl alcohol (1475-13-4,415679-40-2)

Guidance literature:

With sodium borohydrid; In methanol; water;

Reference yield: 84.0%

2-(2,4-dichlorophenyl)oxirane (13692-15-4) → 2,4-dichloro-α-methylbenzyl alcohol (1475-13-4,415679-40-2)

Guidance literature:

With diphosphorus tetraiodide; tetraethylammonium bromide; water; In dichloromethane; at 20 ℃; for 6h; regioselective reaction;

DOI:10.1080/00397910903219492

upstream raw materials:

aluminum isopropoxide

1-(2,4-dichlorophenyl)ethan-1-one

diethyl ether

2,4-dichloro-1-iodo-benzene

Downstream raw materials:

2,2',4'-trichloroacetophenone

ethyl 4-(2,4-dichlorophenyl)-2,4-dioxobutyrate

ethyl 5-(2,4-dichlorophenyl)isoxazole-3-carboxylate

(5-(2,4-dichlorophenyl)isoxazol-3-yl)methanol

Refernces

• 1、 Yadav, Samanta,Vijayan, Paranthaman,Yadav, Sunil,Gupta, Rajeev. "Ruthenium complexes of phosphine-amide based ligands as efficient catalysts for transfer hydrogenation reactions". . p. 3269 - 3279. Retrieved 2021/03/16.
• 2、 Han, Xingyou,Li, Feng,Liu, Peng,Wang, Rongzhou,Xu, Jing. "Transfer Hydrogenation of Ketones and Imines with Methanol under Base-Free Conditions Catalyzed by an Anionic Metal-Ligand Bifunctional Iridium Catalyst". . p. 2242 - 2249. Retrieved 2020/03/13.