Perhydrofluorene

Base Information

• Chemical Name: Perhydrofluorene
• CAS No.: 5744-03-6
• Molecular Formula: C13H22
• Molecular Weight: 178.318
• European Community (EC) Number: 227-268-3
• NSC Number: 76673
• DSSTox Substance ID: DTXSID30871144
• Nikkaji Number: J102.603H
• Mol file: 5744-03-6.mol

Synonyms:PERHYDROFLUORENE;5744-03-6;Dodecahydro-1H-fluorene;Dodecahydrofluorene;Fluorene, dodecahydro-;1H-Fluorene, dodecahydro-;2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene;Perhydrofluorene, 97%;Dodecahydro-9H-fluorene;NCIOpen2_000648;OLWAZOBRCQWWDB-UHFFFAOYSA-;DTXSID30871144;NSC76673;EINECS 227-268-3;MFCD00001161;NSC 76673;NSC-76673;AKOS015912632;CS-0204901;P2393;T72646

Chemical Property of Perhydrofluorene

Chemical Property:

• Vapor Pressure: 0.0291mmHg at 25°C
• Melting Point: 15°C(lit.)
• Refractive Index: n20/D 1.501(lit.)
• Boiling Point: 253oC(lit.)
• Flash Point: 148 °F
• PSA: 0.00000
• Density: 0.92 g/mL at 25oC(lit.)
• LogP: 4.00290
• XLogP3: 5.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 178.172150702
• Heavy Atom Count: 13
• Complexity: 165

Purity/Quality:

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

Dodecahydrofluorene (mixture of isomers) >97.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC2C(C1)CC3C2CCCC3
• Uses: Perhydrofluorene (Dodecahydrofluorene) was used as a hydrogen storage compound.

Technology Process of Perhydrofluorene

There total 11 articles about Perhydrofluorene 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: 92.0%

9H-fluorene (86-73-7) → dodecahydrofluorene (5744-03-6)

Guidance literature:

With 10% Pt/activated carbon; isopropyl alcohol; In water; at 100 ℃; for 24h; Sealed tube;

DOI:10.1002/adsc.201500263

Reference yield: 72.0%

9H-fluorene (86-73-7) → hexahydrofluorene (1559-97-3) + dodecahydrofluorene (5744-03-6)

Guidance literature:

With platinum on activated charcoal; water; aluminium; at 20 - 80 ℃; for 36h; Sealed tube;

DOI:10.1016/j.crci.2013.09.013

Reference yield:

bis-(4-hydroxyphenyl)methane (620-92-8) → dodecahydrofluorene (5744-03-6) + dicyclohexylmethane (3178-23-2)

Guidance literature:

With platinum on activated charcoal; hydrogen; In cyclohexane; at 139.84 ℃; for 4h; under 22502.3 Torr; Time;

DOI:10.1039/c9gc01627a

upstream raw materials:

9H-fluorene

fluorene

2-aminofluorene

isopropyl alcohol

Downstream raw materials:

9H-fluorene

2-bromo-9H-fluorene

2,7-dibromo-9H-fluorene

hydrogen

Refernces

• 1、 Tang, Hao,Hu, Yancheng,Li, Guangyi,Wang, Aiqin,Xu, Guoliang,Yu, Cong,Wang, Xiaodong,Zhang, Tao,Li, Ning. "Synthesis of jet fuel range high-density polycycloalkanes with polycarbonate waste". supporting information. p. 3789 - 3795. Retrieved 2019/07/31.
• 2、 Sawama, Yoshinari,Mori, Misato,Yamada, Tsuyoshi,Monguchi, Yasunari,Sajiki, Hironao. "Hydrogen Self-Sufficient Arene Reduction to Cyclohexane Derivatives Using a Combination of Platinum on Carbon and 2-Propanol". supporting information. p. 3667 - 3670. Retrieved 2016/01/25.