1-(4-Chlorophenyl)ethanol

Base Information

• Chemical Name: 1-(4-Chlorophenyl)ethanol
• CAS No.: 3391-10-4
• Deprecated CAS: 75968-35-3,1375747-87-7
• Molecular Formula: C8H9ClO
• Molecular Weight: 156.612
• Hs Code.: 29062990
• European Community (EC) Number: 222-223-4
• NSC Number: 87867
• DSSTox Substance ID: DTXSID60871854
• Nikkaji Number: J28.523D
• Mol file: 3391-10-4.mol

Synonyms:1-(4-Chlorophenyl)ethanol;3391-10-4;1-(4-chlorophenyl)ethan-1-ol;4-Chloro-alpha-methylbenzyl alcohol;1-(P-CHLOROPHENYL)ETHANOL;Benzenemethanol, 4-chloro-.alpha.-methyl-;1-(4'-chlorophenyl)-1-hydroxyethane;4-Chlorophenylmethylcarbinol;Benzyl alcohol, p-chloro-.alpha.-methyl-;.alpha.-(p-Chlorophenyl)ethanol;MFCD00041038;p-Chloro-.alpha.-methylbenzyl alcohol;75968-35-3;NSC87867;4-chlorophenylethanol;p-chlorophenyl-ethanol;(R)-4-CHLORO-ALPHA-METHYLBENZYLALCOHOL;1-(4-chlorophenyl)-ethanol;1-p-Chlorophenylethyl alcohol;alpha-(p-Chlorophenyl)ethanol;SCHEMBL141006;1-(4-chloro-phenyl)-ethanol;4-chloro-a-methylbenzyl alcohol;p-CHLOROPHENYLMETHYCARBINOL;1-(4-Chlorophenyl)ethyl Alcohol;DTXSID60871854;1-(4-Chlorophenyl)ethanol, 98%;p-Chloro-alpha-methylbenzyl alcohol;(+/-)-1-(4-chlorophenyl)ethanol;EINECS 222-223-4;BBL100095;NSC 87867;NSC-87867;STL301356;AKOS000120348;AKOS016050379;AC-7197;Benzyl alcohol, p-chloro-alpha-methyl-;Benzenemethanol, 4-chloro-alpha-methyl-;s10649;AS-14907;SY005059;SY116631;AI3-02463;1-(4-CHLOROPHENYL)-1-HYDROXYETHANE;CS-0109932;FT-0634823;FT-0654311;FT-0654735;EN300-20683;(S)-4-CHLORO-ALPHA-METHYLBENZYLALCOHOL;W-106763;Z104479788

Chemical Property of 1-(4-Chlorophenyl)ethanol

Chemical Property:

• Appearance/Colour: Clear,colorless pure liquid
• Vapor Pressure: 0.0204mmHg at 25°C
• Refractive Index: n20/D 1.541(lit.)
• Boiling Point: 240.568 °C at 760 mmHg
• PKA: 14.22±0.20(Predicted)
• Flash Point: 99.293 °C
• PSA: 20.23000
• Density: 1.182 g/cm³
• LogP: 2.39330
• Storage Temp.: Store below +30°C.
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 156.0341926
• Heavy Atom Count: 10
• Complexity: 97.4

Purity/Quality:

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

1-(4-Chlorophenyl)ethanol ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C1=CC=C(C=C1)Cl)O
• Uses: 1-(4-Chlorophenyl)ethanol was used to study transfer dehydrogenation of various alcohols over heterogeneous palladium catalysts using olefins as hydrogen acceptors.

Technology Process of 1-(4-Chlorophenyl)ethanol

There total 237 articles about 1-(4-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: 93.7%

4-methyl-benzaldehyde (104-87-0) + para-chloroacetophenone (99-91-2) → 4-Methylbenzyl alcohol (589-18-4) + 1-(p-chlorophenyl)ethyl alcohol (3391-10-4)

Guidance literature:

With sodium tetrahydroborate; tin(ll) chloride; In tetrahydrofuran; for 1.5h; Heating; selectivity, absence of SnCl₂, further solvents;

DOI:10.1246/cl.1987.853

Reference yield: 92.0%

4-vinylbenzyl chloride (1073-67-2,24991-47-7) → 1-(p-chlorophenyl)ethyl alcohol (3391-10-4)

Guidance literature:

With oxygen; tetraethylammonium borohydride; 5,10,15,20-tetraphenyl-21H,23H-porphine cobalt(II); In 1,2-dimethoxyethane; isopropyl alcohol; for 48h; Ambient temperature;

DOI:10.1021/jo00183a020

Reference yield: 90.0%

C14H15ClOSi → 1-(p-chlorophenyl)ethyl alcohol (3391-10-4)

Guidance literature:

With sodium hydroxide; In water; Schlenk technique; Inert atmosphere;

DOI:10.1007/s10562-021-03578-9

upstream raw materials:

methyl magnesium iodide

4-chlorobenzaldehyde

methylmagnesium bromide

sodium ethanolate

Downstream raw materials:

1-(4-chloro-phenyl)-1-phenyl-ethanol

1-(4-chlorophenyl)ethyl acetate

para-chloroacetophenone

1-chloro-4-(1-chloroethyl)benzene

Refernces

• 1、 Schr?der-Holzhacker, Christian,Gorgas, Nikolaus,St?ger, Berthold,Kirchner, Karl. "Synthesis and reactivity of BINEPINE-based chiral Fe(II) PNP pincer complexes". . p. 1023 - 1030. Retrieved 2016.
• 2、 Ding, Nini,Hor, T. S. Andy. "Ruthenium(II) N,S-heterocyclic carbene complexes and transfer hydrogenation of ketones". . p. 10179 - 10185. Retrieved 2010.
• 3、 Ding, Nini,Hor, T. S. Andy. "Syntheses and structures of ruthenium(II) N,S-heterocyclic carbene diphosphine complexes and their catalytic activity towards transfer hydrogenation". . p. 1485 - 1491. Retrieved 2011.
• 4、 Gen?, Serta?,Gülcemal, Süleyman,Günnaz, Salih,?etinkaya, Bekir,Gülcemal, Derya. "Synthesis of α-Alkylated Ketones via Selective Epoxide Opening/Alkylation Reactions with Primary Alcohols". . p. 5229 - 5234. Retrieved 2021/07/19.
• 5、 Fang, Fei,Chang, Jiarui,Zhang, Jie,Chen, Xuenian. "Efficient Solvent-Free Hydrosilylation of Aldehydes and Ketones Catalyzed by Fe2(CO)9/C6H4-o-(NCH2PPh2)2BH". . p. 3509 - 3515. Retrieved 2021/03/16.