9-(1,1-Dimethylethyl)-9H-fluorene

Base Information

• Chemical Name: 9-(1,1-Dimethylethyl)-9H-fluorene
• CAS No.: 17114-78-2
• Molecular Formula: C17H18
• Molecular Weight: 222.33
• Hs Code.: 2902909090
• DSSTox Substance ID: DTXSID90169019
• Nikkaji Number: J374.762J
• Wikidata: Q83038656
• Mol file: 17114-78-2.mol

Synonyms:9-tert-butyl-9H-fluorene;17114-78-2;9-(1,1-DIMETHYLETHYL)-9H-FLUORENE;9-t-butylfluorene;9-tert-butylfluorene;DTXSID90169019;MFCD00445287

Chemical Property of 9-(1,1-Dimethylethyl)-9H-fluorene

Chemical Property:

• Vapor Pressure: 0.000297mmHg at 25°C
• Boiling Point: 331.6°Cat760mmHg
• Flash Point: 162.5°C
• PSA: 0.00000
• Density: 1.036g/cm³
• LogP: 4.84500
• XLogP3: 5.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 222.140850574
• Heavy Atom Count: 17
• Complexity: 250

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C1C2=CC=CC=C2C3=CC=CC=C13

Technology Process of 9-(1,1-Dimethylethyl)-9H-fluorene

There total 24 articles about 9-(1,1-Dimethylethyl)-9H-fluorene 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: 93.0%

9-hydroxy-9-tert-butylfluorene (20685-07-8) → 9-tert-butylfluorene (17114-78-2)

Guidance literature:

With triethylsilane; boron trifluoride diethyl etherate; In dichloromethane; at 0 ℃; for 1h;

DOI:10.1021/acs.joc.0c00909

Reference yield: 17.0%

9-fluorenone (486-25-9,952573-42-1) + tert.-butyl lithium (594-19-4) → 9-tert-butylfluorene (17114-78-2)

Guidance literature:

In hexane; pentane; at 20 ℃; Inert atmosphere; Schlenk technique;

DOI:10.1021/jacs.8b13490

Reference yield:

3-chloro-3-methyl-1-butene (2190-48-9) + potassium salt of 9-tert-butylfluorene (106358-48-9) → 9-tert-butylfluorene (17114-78-2) + 9-tert-butyl-9-(3-methyl-2-butenyl)fluorene + isoprene (78-79-5,9003-31-0)

Guidance literature:

In dimethyl sulfoxide; Yield given. Yields of byproduct given;

DOI:10.1021/ja00240a029

upstream raw materials:

9H-fluorene

methyl 9-tert-butylfluorene-9-carboxylate

9-hydroxy-9-tert-butylfluorene

tert-butylmercury chloride

Downstream raw materials:

9-fluorenone

9-hydroxy-9-tert-butylfluorene

4-aminopyridazine

potassium salt of 9-tert-butylfluorene