5-Fluoro-1-indanone

Base Information

• Chemical Name: 5-Fluoro-1-indanone
• CAS No.: 700-84-5
• Molecular Formula: C9H7FO
• Molecular Weight: 150.152
• Hs Code.: 29147000
• DSSTox Substance ID: DTXSID90220270
• Nikkaji Number: J265.916F
• Wikidata: Q72480101
• Mol file: 700-84-5.mol

Synonyms:5-Fluoro-1-indanone;700-84-5;5-fluoro-2,3-dihydro-1h-inden-1-one;5-fluoro-2,3-dihydroinden-1-one;5-fluoroindan-1-one;MFCD00041031;1H-INDEN-1-ONE, 5-FLUORO-2,3-DIHYDRO-;5-fluoroindanone;5-fluoro indanone;5-Fluoro-1-indanon;5-Flouro-1-indanone;5-fluoro-indan-1-one;SCHEMBL192610;5-Fluoro-1-indanone, 99%;DTXSID90220270;BCP21679;BBL101780;CCG-48239;GEO-01402;STL555577;AKOS000204993;AB01853;AC-2267;CS-W008930;FS-1020;SY017170;A9261;AM20061172;F0376;FT-0601994;EN300-68421;F-4450;J-515332;J-640297;SR-01000637797-1;F8889-3644;Z318770630;1-tert-butyl?3-methyl?3-ethyl-4-oxopiperidine-1,3-dicarboxylate

Chemical Property of 5-Fluoro-1-indanone

Chemical Property:

• Appearance/Colour: white to yellowish crystalline low melting solid
• Vapor Pressure: 0.00109mmHg at 25°C
• Melting Point: 38-40 °C(lit.)
• Refractive Index: 1.459
• Boiling Point: 247 °C at 760 mmHg
• Flash Point: 87.2 °C
• PSA: 17.07000
• Density: 1.259 g/cm³
• LogP: 1.95460
• Storage Temp.: Refrigerator
• Water Solubility.: insoluble
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 150.048093005
• Heavy Atom Count: 11
• Complexity: 178

Purity/Quality:

5-Fluoro-1-indanone ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1CC(=O)C2=C1C=C(C=C2)F
• Uses: 5-Fluoro-1-indanone was used to prepare precursor for thiosemicarbazones derived from 1-indanones. It was used in the synthesis of 6-fluoro-1,2,3,4-tetrahydroquinoline hydrochloride.

Technology Process of 5-Fluoro-1-indanone

There total 14 articles about 5-Fluoro-1-indanone 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%

1-bromo-4-fluoro-2-vinylbenzene (828267-47-6) → 5-fluoro-1-indanone (700-84-5)

Guidance literature:

With pyridine; tetrabutyl-ammonium chloride; tri tert-butylphosphoniumtetrafluoroborate; palladium diacetate; In 1,4-dioxane; at 150 ℃; for 0.333333h; microwave irradiation;

DOI:10.1021/jo048375g

Reference yield: 59.0%

5-fluoro-indan (37530-82-8) → 5-fluoro-1-indanone (700-84-5)

Guidance literature:

With tetra-O-acetyl riboflavin; ferrous perchlorate; oxygen; In water; acetonitrile; at 50 ℃; for 0.416667h; Reagent/catalyst; Catalytic behavior; UV-irradiation; Flow reactor;

DOI:10.1021/acs.orglett.8b00540

Reference yield: 18.52%

3-(3-fluorophenyl)propionyl chloride (148960-31-0) → 5-fluoro-1-indanone (700-84-5)

Guidance literature:

With aluminium trichloride; sodium chloride; at 180 - 200 ℃; for 0.5h;

upstream raw materials:

3-chloro-4'-fluoropropiophenone

3-(3-fluorophenyl)propionic acid

3-(3-fluorophenyl)propionyl chloride

1-bromo-4-fluoro-2-vinylbenzene

Downstream raw materials:

2,2-dibromo-5-fluoro-indan-1-one

2-bromo-5-fluoro-1-indanone

C₁₅H₁₀Cl₂O₂

5-fluoro-indan-1-carboxylic acid

Refernces

• 1、 Zhang, Minmin,Yu, Shuowen,Hu, Fangzhi,Liao, Yijun,Liao, Lihua,Xu, Xiaoying,Yuan, Weicheng,Zhang, Xiaomei. "Highly enantioselective [3+2] coupling of cyclic enamides with quinone monoimines promoted by a chiral phosphoric acid". supporting information. p. 8757 - 8760. Retrieved 2016/07/15.
• 2、 Cao, Weidi,Liu, Xiaohua,Peng, Ruixue,He, Peng,Lin, Lili,Feng, Xiaoming. "Catalytic asymmetric cross-dehydrogenative coupling: Activation of C-H bonds by a cooperative bimetallic catalyst system". . p. 3470 - 3472. Retrieved 2013/05/23.