(R)-1-(4-Fluorophenyl)ethanol

Base Information

• Chemical Name: (R)-1-(4-Fluorophenyl)ethanol
• CAS No.: 101219-68-5
• Molecular Formula: C₈H₉FO
• Molecular Weight: 140.157
• Hs Code.: 29062990
• European Community (EC) Number: 623-365-3
• DSSTox Substance ID: DTXSID20357381
• Nikkaji Number: J822.647D
• Wikidata: Q72475848
• Mol file: 101219-68-5.mol

Synonyms:(R)-1-(4-Fluorophenyl)ethanol;101219-68-5;(1R)-1-(4-fluorophenyl)ethanol;(R)-4-fluoro-alpha-methylbenzyl alcohol;(R)-1-(4-Fluorophenyl)ethan-1-ol;MFCD03092997;(1R)-1-(4-fluorophenyl)ethan-1-ol;(r)-4-fluorophenylethan-1-ol;SCHEMBL1962791;DTXSID20357381;PSDSORRYQPTKSV-ZCFIWIBFSA-N;(R)-1-(4'-Fluorophenyl)ethanol;AMY10790;SC1239;(r)-p-fluoro-alpha-methylbenzylalcohol;AKOS010397616;AC-9527;CS-W011032;AS-54584;(R)-4-Fluoro- alpha -methylbenzyl alcohol;(R)-4-Fluoro-alpha-methylbenzyl alcohol, 97%;EN300-1834414;A825062;Benzenemethanol, 4-fluoro-alpha-methyl-, (alphaR)-;J-000344

Chemical Property of (R)-1-(4-Fluorophenyl)ethanol

Chemical Property:

• Appearance/Colour: clear colorless to pale yellow liquid
• Vapor Pressure: 3.47mmHg at 25°C
• Refractive Index: n20/D 1.502
• Boiling Point: 216.2 °C at 760 mmHg
• PKA: 14.36±0.20(Predicted)
• Flash Point: 90.6 °C
• PSA: 20.23000
• Density: 1.123 g/cm³
• LogP: 1.87900
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 140.063743068
• Heavy Atom Count: 10
• Complexity: 97.4

Purity/Quality:

99.5% ^*data from raw suppliers

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

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C1=CC=C(C=C1)F)O
• Isomeric SMILES: C[C@H](C1=CC=C(C=C1)F)O
• Uses: (R)-1-(4-FLUOROPHENYL)ETHANOL is a useful research chemical.

Technology Process of (R)-1-(4-Fluorophenyl)ethanol

There total 102 articles about (R)-1-(4-Fluorophenyl)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: 99.0%

1-(4-fluorophenyl)ethanone (403-42-9) → (S)-1-(4-fluorophenyl)ethan-1-ol (403-41-8,101219-68-5,101219-73-2)

Guidance literature:

With hydrogen; sodium methylate; [(Sp)-2-(Et-S-CH₂)-1-Ph₂P-ferrocene][Ir(cod)Cl] complex; In isopropyl alcohol; at 10 ℃; for 8h; under 22502.3 Torr;

DOI:10.1002/adsc.200600350

Reference yield: 49.0%

1-(4-Fluorophenyl)ethanol (403-41-8) → 1-(4-fluorophenyl)ethanone (403-42-9) + (R)-1-(4-fluorophenyl)ethan-1-ol (403-41-8,101219-73-2,101219-68-5)

Guidance literature:

With Candida albicans CCT 0776; In water; at 30 ℃; for 1h; enantioselective reaction; Resolution of racemate; Enzymatic reaction;

DOI:10.1016/j.tetasy.2016.03.008

Reference yield:

1-(4-Fluorophenyl)ethanol (403-41-8) → (S)-1-(4-fluorophenyl)ethan-1-ol (403-41-8,101219-68-5,101219-73-2) + 1-(4-fluorophenyl)ethanone (403-42-9) + (R)-1-(4-fluorophenyl)ethan-1-ol (403-41-8,101219-73-2,101219-68-5)

Guidance literature:

With sodium isopropylate; acetone; [RuCl₂(PPh₃)(ferrocenyloxazolinylphosphine)]; In isopropyl alcohol; at 50 ℃; for 0.583333h;

DOI:10.1021/jo0345087

upstream raw materials:

1-(4-fluorophenyl)ethanone

R-(-)-2-(4-fluorophenyl)oxirane

[R]-1-chloro-2-(4-fluorophenyl)-2-ethanol

C₁₄H₂₃FO₃Si

Downstream raw materials:

C₂₆H₂₇ClF₂N₂O₂

C₁₃H₁₁FN₂O₃

C₁₅H₁₃BrFNO₃

(R)-acetic acid 1-(4-fluoro-phenyl)-ethyl ester

Refernces

• 1、 Hildebrandt, Petra,Riermeier, Thomas,Altenbuchner, Josef,Bornscheuer, Uwe T.. "Efficient resolution of prostereogenic arylaliphatic ketones using a recombinant alcohol dehydrogenase from Pseudomonas fluorescens". . p. 1207 - 1210. Retrieved 2001.
• 2、 Groeger, Harald,Rollmann, Claudia,Chamouleau, Francoise,Sebastien, Isabelle,May, Oliver,Wienand, Wolfgang,Drauz, Karlheinz. "Enantioselective reduction of 4-fluoroacetophenone at high substrate concentration using a tailor-made recombinant whole-cell catalyst". . p. 709 - 712. Retrieved 2007.
• 3、 Shi, Shunli,Zhong, Yicheng,Hu, Zhuo,Wang, Lei,Yuan, Mingwei,Ding, Shunmin,Wang, Shuhua,Chen, Chao. "Chiral Yolk-Shell MOF as an Efficient Nanoreactor for Asymmetric Catalysis in Organic-Aqueous Two-Phase System". . p. 12714 - 12718. Retrieved 2021.
• 4、 Raluy, Eva,Dieguez, Montserrat,Pamies, Oscar. "Screening of a modular sugar-based phosphoroamidite ligand library in the asymmetric nickel-catalyzed trialkylaluminium addition to aldehydes". . p. 1575 - 1579. Retrieved 2009.
• 5、 Ak, Bünyamin,Aydemir, Murat,Durap, Feyyaz,Meri?, Nermin,Elma, Duygu,Baysal, Akin. "Highly efficient iridium catalysts based on C2-symmetric ferrocenyl phosphinite ligands for asymmetric transfer hydrogenations of aromatic ketones". . p. 1307 - 1313. Retrieved 2015.
• 6、 Yang, Yajie,Deng, Dan,Zhang, Shenli,Meng, Qinghao,Li, Zhangnan,Wang, Zeyu,Sha, Haoyan,Faller, Roland,Bian, Zheng,Zou, Xiaoqin,Zhu, Guangshan,Yuan, Ye. "Porous Organic Frameworks Featured by Distinct Confining Fields for the Selective Hydrogenation of Biomass-Derived Ketones". . . Retrieved 2020.
• 7、 Segarra, Anna M.,Guerrero, Ramon,Claver, Carmen,Fernandez, Elena. "How to turn the catalytic asymmetric hydroboration reaction of vinylarenes into a recyclable process". . p. 191 - 200. Retrieved 2003.
• 8、 Beagley,Davies,Adams,White. "Chiral metallocenes: The synthesis and X-ray crystal structures of TiCl2(η5:η5-C5Me 4SiMe2C5H3R*) (R* = menthyl or neomenthyl) and related compounds". . p. 731 - 741. Retrieved 2001.
• 9、 Gao, Jing,Guo, Na,Jiang, Yanjun,Liu, Guanhua,Liu, Pengbo,Liu, Yunting,Wang, Zihan,Zhang, Lei. "Polydopamine-Encapsulated Dendritic Organosilica Nanoparticles as Amphiphilic Platforms for Highly Efficient Heterogeneous Catalysis in Water". . p. 1975 - 1982. Retrieved 2021.
• 10、 Kodama, Koichi,Kobayashi, Yuka,Saigo, Kazuhiko. "Two-component supramolecular helical architectures: Creation of tunable dissymmetric cavities for the inclusion and chiral recognition of the third components". . p. 2144 - 2152. Retrieved 2007.