Phentydrone

Base Information

• Chemical Name: Phentydrone
• CAS No.: 634-19-5
• Molecular Formula: C13H12O
• Molecular Weight: 184.25
• UNII: GF6SPR73DW
• DSSTox Substance ID: DTXSID80212806
• Nikkaji Number: J5.702I
• Wikidata: Q27279078
• NCI Thesaurus Code: C74337
• ChEMBL ID: CHEMBL25141
• Mol file: 634-19-5.mol

Synonyms:Phentydrone;1,2,3,4-Tetrahydro-9-fluorenone;634-19-5;UNII-GF6SPR73DW;GF6SPR73DW;BRN 2615049;9H-FLUOREN-9-ONE, 1,2,3,4-TETRAHYDRO-;4-07-00-01302 (Beilstein Handbook Reference);PHENTYDRONE [MI];CHEMBL25141;SCHEMBL875187;DTXSID80212806;PWTXAEYNCISTMB-UHFFFAOYSA-N;1,2,3,4-Tetrahydro-9-fluorenon;Fluoren-9-one, 1,2,3,4-tetrahydro-;LS-69334;Q27279078

Chemical Property of Phentydrone

Chemical Property:

• Melting Point: 81-82° (Beyerman); mp 41.5-42.5° (House)
• Refractive Index: 1.5928 (estimate)
• Boiling Point: 343.2°Cat760mmHg
• Flash Point: 150.7°C
• PSA: 17.07000
• Density: 1.17g/cm³
• LogP: 3.21050
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 184.088815002
• Heavy Atom Count: 14
• Complexity: 300

Purity/Quality:

99% ^*data from raw suppliers

PHENTYDRONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC2=C(C1)C3=CC=CC=C3C2=O

Technology Process of Phentydrone

There total 14 articles about Phentydrone 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: 57.0%

1',2',3',4'-tetrahydro-[1,1'-biphenyl]-2-carboxylic acid → 3,4-dihydro-1H-fluoren-9(2H)-one (634-19-5)

Guidance literature:

With palladium diacetate; acetic anhydride; tricyclohexylphosphine; In 1,4-dioxane; at 100 ℃; for 18h; regioselective reaction; Inert atmosphere;

DOI:10.1002/chem.201403561

Reference yield: 26.0%

2',3',4',5'-tetrahydro-[1,1'-biphenyl]-2-carbonyl fluoride → 3,4-dihydro-1H-fluoren-9(2H)-one (634-19-5)

Guidance literature:

With potassium fluoride; palladium diacetate; tricyclohexylphosphine; In 5,5-dimethyl-1,3-cyclohexadiene; at 120 ℃; for 75h; Inert atmosphere; Sealed tube; Glovebox;

DOI:10.1246/bcsj.20210148

Reference yield: 14.0%

2-diazo-2-(1-hydroxycyclopentyl)-1-phenylethanone → 3,4-dihydro-1H-fluoren-9(2H)-one (634-19-5)

Guidance literature:

With tris(pentafluorophenyl)borate; In dichloromethane; at 20 ℃; for 0.166667h;

DOI:10.1021/acs.orglett.8b03054

upstream raw materials:

3,4,5,6-tetrahydro-[1,1'-biphenyl]-2-carboxylic acid

anthranilic acid

2-Iodobenzoic acid

2-diazo-acetophenone

Refernces

• 1、 Hayakawa, Kazuki,Ikai, Kana,Ogiwara, Yohei,Sakai, Norio,Sakurai, Yuka. "Palladium-catalyzed intramolecular aromatic C-H acylation of 2-arylbenzoyl fluorides". . p. 1882 - 1893. Retrieved 2021/08/13.
• 2、 Miles, Kelsey C.,Le, Chi,Stambuli, James P.. "Direct carbocyclizations of benzoic acids: Catalyst-controlled synthesis of cyclic ketones and the development of tandem aHH (acyl Heck-Heck) reactions". supporting information. p. 11336 - 11339. Retrieved 2014/10/16.