1-Pyrenebutanol

Base Information

• Chemical Name: 1-Pyrenebutanol
• CAS No.: 67000-89-9
• Molecular Formula: C20H18O
• Molecular Weight: 274.362
• European Community (EC) Number: 627-552-0
• DSSTox Substance ID: DTXSID60376359
• Nikkaji Number: J1.122.002I
• Wikidata: Q82165298
• Mol file: 67000-89-9.mol

Synonyms:4-(1-Pyrenyl)butanol;

Chemical Property of 1-Pyrenebutanol

Chemical Property:

• Vapor Pressure: 2.37E-10mmHg at 25°C
• Melting Point: 80-83 °C(lit.)
• Refractive Index: 1.761
• Boiling Point: 488.4 °C at 760 mmHg
• PKA: 15.15±0.10(Predicted)
• Flash Point: 205.4 °C
• PSA: 20.23000
• Density: 1.217 g/cm³
• LogP: 4.89900
• XLogP3: 5.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 274.135765193
• Heavy Atom Count: 21
• Complexity: 352

Purity/Quality:

97% ^*data from raw suppliers

1-Pyrenebutanol ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)CCCCO
• Uses: 1-Pyrenebutanol is a interfacial agent for bisphenol-A polycarbonate and multi-walled carbon nanotube composites.

Technology Process of 1-Pyrenebutanol

There total 9 articles about 1-Pyrenebutanol 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: 99.0%

4-(1-pyrene)butyric acid methyl ester (70570-29-5) → 4-pyrenylbutanol (67000-89-9)

Guidance literature:

With diisobutylaluminium hydride; In tetrahydrofuran; hexane; at 0 - 20 ℃; Inert atmosphere;

DOI:10.1016/j.tet.2008.12.035

Reference yield: 95.0%

1-pyrenebutyric acid (3443-45-6) → 4-pyrenylbutanol (67000-89-9)

Guidance literature:

With lithium aluminium tetrahydride;

DOI:10.1002/cplu.201900448

Reference yield: 88.0%

4-(1-pyrene)butanoic acid ethyl ester (59275-39-7) → 4-pyrenylbutanol (67000-89-9)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 20 ℃; for 4h;

DOI:10.1021/jo8011336

upstream raw materials:

4-(1-pyrene)butyric acid methyl ester

pyrene

4-(1-pyrene)butanoic acid ethyl ester

1-pyrenebutyric acid

Downstream raw materials:

4-(4-{3,3,4,4,5,5-hexafluoro-2-[2-methyl-5-(4-octyloxyphenyl)thiophen-3-yl]cyclopent-1-enyl}-5-methylthiophen-2-yl)benzoic acid 4-(pyren-1-yl)butyl ester

4-cyano-4-methyl-4-thiobenzoylsulfanyl-butyric acid 4-pyren-1-yl-butyl ester

C₈₀H₇₈N₄O₆P⁽¹⁺⁾*Cl^(1-)

C₄₇H₅₂N₂O₄

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