9-Fluorenone-2-carboxylic acid

Base Information

• Chemical Name: 9-Fluorenone-2-carboxylic acid
• CAS No.: 784-50-9
• Molecular Formula: C14H8 O3
• Molecular Weight: 224.216
• Hs Code.: 2918300090
• European Community (EC) Number: 212-317-3
• NSC Number: 113321,81258
• DSSTox Substance ID: DTXSID50229062
• Nikkaji Number: J104J
• Wikidata: Q72478388
• Mol file: 784-50-9.mol

Synonyms:9-Fluorenone-2-carboxylic acid;784-50-9;9-oxofluorene-2-carboxylic acid;9-Oxo-9H-fluorene-2-carboxylic acid;Fluorenone-2-carboxylic acid;9-Oxofluoren-2-carboxylic acid;9H-Fluorene-2-carboxylic acid, 9-oxo-;9-Oxo-2-fluorenecarboxylic acid;EINECS 212-317-3;9-Fluorenone-2-carboxylicacid;SCHEMBL292802;BJCTXUUKONLPPK-UHFFFAOYSA-;DTXSID50229062;9-oxo-2-fluorene carboxylic acid;9-oxo-fluorene-2-carboxylic acid;AMY32672;NSC81258;MFCD00001156;NSC 81258;NSC-81258;NSC113321;AKOS001325046;9-Fluorenone-2-carboxylic acid, 98%;AC-4882;CCG-314871;CS-W013069;NSC 113321;NSC-113321;9-Oxo-9H-fluorene-2-carboxylic acid #;AS-38202;F0263;FT-0621650;EN300-26713;J-009414;Q-101170;Z228460224

Chemical Property of 9-Fluorenone-2-carboxylic acid

Chemical Property:

• Appearance/Colour: yellow powder.
• Vapor Pressure: 6.9E-10mmHg at 25°C
• Melting Point: 300 ºC
• Refractive Index: 1.5400 (estimate)
• Boiling Point: 476.5 °C at 760 mmHg
• PKA: 3.85±0.20(Predicted)
• Flash Point: 256.1 °C
• PSA: 54.37000
• Density: 1.424 g/cm³
• LogP: 2.59620
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 224.047344113
• Heavy Atom Count: 17
• Complexity: 349

Purity/Quality:

98%,99%, ^*data from raw suppliers

9-Fluorenone-2-carboxylic Acid ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C3=C(C2=O)C=C(C=C3)C(=O)O
• Uses: 9-Fluorenone-2-carboxylic Acid (cas# 784-50-9) is a compound useful in organic synthesis.

Technology Process of 9-Fluorenone-2-carboxylic acid

There total 45 articles about 9-Fluorenone-2-carboxylic acid 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: 98.5%

1-(9H-fluoren-2-yl)ethanone (781-73-7) → fluorenone-2-carboxylic acid (784-50-9)

Guidance literature:

With sodium dichromate; In acetic acid; Heating;

DOI:10.1080/00397910008086959

Reference yield: 91.0%

9H-fluorene-9-oxo-2-carbossamide (3096-44-4) → fluorenone-2-carboxylic acid (784-50-9)

Guidance literature:

With sodium hydroxide; In ethanol; water; at 110 ℃; for 6h;

DOI:10.1016/j.bmc.2016.09.041

Reference yield: 91.0%

9H-fluorene-2-carboxylic acid (7507-40-6) → fluorenone-2-carboxylic acid (784-50-9)

Guidance literature:

With manganese(II)carbonate; C₃₄H₅₂N₂O₁₀; oxygen; potassium carbonate; In water; at 60 ℃; for 14h; under 750.075 Torr;

upstream raw materials:

2-methyl-9H-fluorene

1-(9H-fluoren-2-yl)ethanone

9H-fluorene-2-carboxylic acid

2-acetylfluoren-9-one

Downstream raw materials:

1-(9-oxo-2-fluorenylcarbonyl)-4-(3,4,5-trimethoxybenzyl)piperazine

C₂₁H₂₁NO₂

2-(9-oxofluorenyl)carbonyl chloride

C₂₅H₂₄O₆S

Refernces

• 1、 -. "Method for synthesizing fluorenone ketone compound through molecular oxygen oxidation in water phase". Paragraph 0067; 0069. . Retrieved 2019/08/20.
• 2、 Xu, Zhixiang,Xu, Xiangxiang,O'Laoi, Ruadhan,Ma, Haikuo,Zheng, Jiyue,Chen, Shuaishuai,Luo, Lusong,Hu, Zhilin,He, Sudan,Li, Jiajun,Zhang, Hongjian,Zhang, Xiaohu. "Design, synthesis, and evaluation of novel porcupine inhibitors featuring a fused 3-ring system based on the ‘reversed’ amide scaffold". . p. 5861 - 5872. Retrieved 2016/10/30.