9-Fluoreneacetic acid

Base Information

• Chemical Name: 9-Fluoreneacetic acid
• CAS No.: 6284-80-6
• Molecular Formula: C15H12O2
• Molecular Weight: 224.259
• Hs Code.: 29163900
• European Community (EC) Number: 613-090-7
• NSC Number: 5255
• DSSTox Substance ID: DTXSID50212015
• Nikkaji Number: J414.333G
• Wikidata: Q63395574
• ChEMBL ID: CHEMBL44381
• Mol file: 6284-80-6.mol

Synonyms:9-fluoreneacetate;9-fluoreneacetic acid

Chemical Property of 9-Fluoreneacetic acid

Chemical Property:

• Appearance/Colour: light yellow crystalline powder
• Melting Point: 133-135 °C(lit.)
• Refractive Index: 1.6600 (estimate)
• Boiling Point: 436.9 °C at 760 mmHg
• PKA: 3.90±0.10(Predicted)
• Flash Point: 333.6 °C
• PSA: 37.30000
• Density: 1.242 g/cm³
• LogP: 3.27360
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility.: Soluble in water.
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 224.083729621
• Heavy Atom Count: 17
• Complexity: 277

Purity/Quality:

98% ^*data from raw suppliers

9-Fluoreneacetic Acid >98.0%(T) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 24/25-36-26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(C3=CC=CC=C32)CC(=O)O
• Uses: It was used in preparation of pyrokinin class of insect neuropeptides. It was also used in preparation of N-(9-fluoreneacetyl)-L-leucine.

Technology Process of 9-Fluoreneacetic acid

There total 2 articles about 9-Fluoreneacetic 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:

9-fluorenone (486-25-9,952573-42-1) + ethylene glycol (107-21-1) → 9-Fluorenol (1689-64-1) + (9H-fluoren-9-yl)-acetic acid (6284-80-6)

Guidance literature:

at 180 ℃;

Reference yield:

9-fluorenone (486-25-9,952573-42-1) → 9-Fluorenol (1689-64-1) + (9H-fluoren-9-yl)-acetic acid (6284-80-6)

Guidance literature:

Reference yield: 90.0%

(9H-fluoren-9-yl)-acetic acid (6284-80-6) + (4-{(2R,3R,4R)-3,4-bis(benzyloxy)-2-[(benzyloxy)methyl]pyrrolidin-1yl}butyl)amine (1450833-88-1) → C45H48N2O4 (1450834-11-3)

Guidance literature:

With O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine; at 20 ℃; for 5h;

DOI:10.1016/j.bmc.2013.06.054

upstream raw materials:

9-fluorenone

ethylene glycol

Downstream raw materials:

9H-fluorene-9-acetic acid ethyl ester

9-methylfluorene

fluoren-9-yl-acetic acid-(2-diethylamino-ethyl ester); hydrochloride

3-{4-[(2-9H-Fluoren-9-yl-acetylamino)-methyl]-phenyl}-propionic acid ethyl ester