1-Ethyl-2-fluorobenzene

Base Information

• Chemical Name: 1-Ethyl-2-fluorobenzene
• CAS No.: 446-49-1
• Molecular Formula: C8H9F
• Molecular Weight: 124.158
• Hs Code.: 2903999090
• DSSTox Substance ID: DTXSID60455279
• Nikkaji Number: J650.484A
• Wikidata: Q82277210
• Mol file: 446-49-1.mol

Synonyms:1-Ethyl-2-fluorobenzene;446-49-1;2-ethylfluorobenzene;Benzene, 1-ethyl-2-fluoro-;ethylfluorobenzene;SCHEMBL138361;DTXSID60455279;LMWWLNKVUIHGBR-UHFFFAOYSA-N;MFCD11846034;AKOS006345994;AS-78251;CS-0452670;EN300-329573;F20938

Chemical Property of 1-Ethyl-2-fluorobenzene

Chemical Property:

• Vapor Pressure: 8.863mmHg at 25°C
• Boiling Point: 137.127oC at 760 mmHg
• Flash Point: 25.783oC
• PSA: 0.00000
• Density: 0.982g/cm3
• LogP: 2.38810
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 124.068828449
• Heavy Atom Count: 9
• Complexity: 80.6

Purity/Quality:

98%Min ^*data from raw suppliers

2-Ethylfluorobenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCC1=CC=CC=C1F
• Uses: 2-Ethylfluorobenzene is an impurity of Haloperidol (H103700).

Technology Process of 1-Ethyl-2-fluorobenzene

There total 9 articles about 1-Ethyl-2-fluorobenzene 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: 79.0%

ortho-ethylaniline (578-54-1) → 1-ethyl-2-fluorobenzene (446-49-1)

Guidance literature:

ortho-ethylaniline; With hydrogenchloride; fluoroboric acid; sodium nitrite; In water; at 25 ℃; for 0.00277778h;

In Petroleum ether; at 100 ℃; for 0.0166667h;

DOI:10.1016/j.tetlet.2012.12.084

Reference yield: 60.0%

2-(2-fluorobenzyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (517920-60-4) + methyl iodide (74-88-4) → 1-ethyl-2-fluorobenzene (446-49-1)

Guidance literature:

2-(2-fluorobenzyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; With bis(tri-t-butylphosphine)palladium⁽⁰⁾; cesium fluoride; In water; N,N-dimethyl-formamide; at 80 ℃; for 0.0166667h; Inert atmosphere; Schlenk technique;

methyl iodide; In water; N,N-dimethyl-formamide; at 80 ℃; for 0.0833333h; Inert atmosphere; Schlenk technique;

DOI:10.1039/c3ra40815a

Reference yield:

→ 1-ethyl-2-fluorobenzene (446-49-1)

Guidance literature:

With hydrogen fluoride; at 30 ℃;

upstream raw materials:

fluorobenzene

1-fluoroethane

1-Fluoro-2-iodobenzene

ethyl iodide

Downstream raw materials:

(R)-1-(2-fluorophenyl)ethanol

2'-Fluoroacetophenone

2-fluorobenzamide

cis-(1S,2R)-1,2-dihydroxy-3-ethyl-4-fluorocyclohexa-3,5-diene

Refernces

• 1、 Gong, Ling-Hong,Cai, Yi-Yu,Li, Xin-Hao,Zhang, Ya-Nan,Su, Juan,Chen, Jie-Sheng. "Room-temperature transfer hydrogenation and fast separation of unsaturated compounds over heterogeneous catalysts in an aqueous solution of formic acid". . p. 3746 - 3751. Retrieved 2014/08/05.
• 2、 Koyama, Hiroko,Zhang, Zhouen,Ijuin, Ryosuke,Siqin,Son, Jeongwan,Hatta, Yuma,Ohta, Masashi,Wakao, Masahiro,Hosoya, Takamitsu,Doi, Hisashi,Suzuki, Masaaki. "Pd0-mediated rapid coupling of methyl iodide with excess amounts of benzyl- and cinnamylboronic acid esters: Efficient method for incorporation of positron-emitting 11C radionuclide into organic frameworks by coupling between two sp<". . p. 9391 - 9401. Retrieved 2013/07/27.