2-(2-Fluorophenyl)Acetaldehyde

Base Information

• Chemical Name: 2-(2-Fluorophenyl)Acetaldehyde
• CAS No.: 75321-85-6
• Molecular Formula: C8H7FO
• Molecular Weight: 138.141
• DSSTox Substance ID: DTXSID70590903
• Nikkaji Number: J1.663.694K
• Wikidata: Q82484519
• Mol file: 75321-85-6.mol

Synonyms:2-(2-Fluorophenyl)Acetaldehyde;75321-85-6;(2-Fluorophenyl)acetaldehyde;2-Fluorophenylacetaldehyde;(2-Fluoro-phenyl)-acetaldehyde;SCHEMBL168715;DTXSID70590903;NSEOYYODXJXMMP-UHFFFAOYSA-N;MFCD02261759;AKOS011896714;SB85373;(2-Fluorophenyl)acetaldehyde, AldrichCPR;BS-17519;SY292994;DB-031886;CS-0038111;EN300-106806;W16825;Z993017796

Chemical Property of 2-(2-Fluorophenyl)Acetaldehyde

Chemical Property:

• Vapor Pressure: 0.343mmHg at 25°C
• Refractive Index: 1.493
• Boiling Point: 199.4 °C at 760 mmHg
• Flash Point: 73.2 °C
• PSA: 17.07000
• Density: 1.116 g/cm³
• LogP: 1.56710
• Storage Temp.: Inert atmosphere,Store in freezer, under -20°C
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 138.048093005
• Heavy Atom Count: 10
• Complexity: 114

Purity/Quality:

99% ^*data from raw suppliers

2-(2-Fluorophenyl)acetaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-(2-Fluorophenyl)Acetaldehyde

There total 14 articles about 2-(2-Fluorophenyl)Acetaldehyde 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%

2-(2-fluorophenyl)ethanol (50919-06-7) → 2-(2-fluorophenyl)acetaldehyde (75321-85-6)

Guidance literature:

With sulfur dioxide; pyridinium chlorochromate; In dichloromethane; at -10 - 20 ℃; for 3h;

Reference yield: 94.0%

o-fluorophenylacetic acid ethyl ester (584-74-7) → 2-(2-fluorophenyl)acetaldehyde (75321-85-6)

Guidance literature:

o-fluorophenylacetic acid ethyl ester; With diisobutylaluminium hydride; In toluene; at -78 ℃; for 3h;

With methanol; In toluene; at -78 ℃;

Reference yield: 82.0%

(2-fluorophenyl)acetylene (766-49-4) → 2-(2-fluorophenyl)acetaldehyde (75321-85-6)

Guidance literature:

With cyclopentadienylruthenium(II) trisacetonitrile hexafluorophosphate; 5,5′-bis(trifluoromethyl)-2,2′-bipyridine; In 1-methyl-pyrrolidin-2-one; water; at 25 ℃; for 8h; Reagent/catalyst; Temperature; Solvent; Inert atmosphere; Autoclave;

DOI:10.1002/anie.201404320

upstream raw materials:

2-(2-fluorophenyl)ethanol

2-fluorostyrene

1-fluoro-2-(2-methoxyvinyl)benzene

(2-fluorophenyl)acetic acid

Downstream raw materials:

C₉H₁₁FN₄

(E/Z)-4-(2-fluorophenyl)-2-methylbut-2-enol

4-(2-fluorophenyl)-2-methylbutanol

4-(2-fluorophenyl)-2-methylbromobutane

Refernces

• 1、 Wang, Yujie,Shao, Zhihui,Zhang, Kun,Liu, Qiang. "Manganese-Catalyzed Dual-Deoxygenative Coupling of Primary Alcohols with 2-Arylethanols". supporting information. p. 15143 - 15147. Retrieved 2018/11/01.
• 2、 Wu, Shuke,Liu, Ji,Li, Zhi. "Biocatalytic Formal Anti-Markovnikov Hydroamination and Hydration of Aryl Alkenes". . p. 5225 - 5233. Retrieved 2017/08/17.