4-Pyrenol

Base Information

• Chemical Name: 4-Pyrenol
• CAS No.: 31700-39-7
• Molecular Formula: C16H10 O
• Molecular Weight: 218.255
• NSC Number: 5326
• DSSTox Substance ID: DTXSID50185598
• Nikkaji Number: J531.284A
• Wikidata: Q83056652
• Mol file: 31700-39-7.mol

Synonyms:4-Pyrenol;31700-39-7;pyren-4-ol;4-hydroxypyrene;NSC5326;SCHEMBL2047161;DTXSID50185598;NSC 5326;NSC-5326

Chemical Property of 4-Pyrenol

Chemical Property:

• Vapor Pressure: 2.92E-08mmHg at 25°C
• Boiling Point: 437.4°C at 760 mmHg
• Flash Point: 213°C
• Density: 1.36g/cm³
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 218.073164938
• Heavy Atom Count: 17
• Complexity: 300

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C3C(=C1)C=C(C4=CC=CC(=C43)C=C2)O

Technology Process of 4-Pyrenol

There total 1 articles about 4-Pyrenol 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:

4-nitropyrene (57835-92-4) → pyrene (129-00-0) + 1-hydroxypyrene (31700-39-7) + pyren-4-ylamine (17075-03-5) + pyrene-4,5-dione (6217-22-7)

Guidance literature:

In isopropyl alcohol; for 4h; Inert atmosphere; Irradiation;

DOI:10.1016/j.jphotochem.2016.08.018

Reference yield: 70.0%

1-hydroxypyrene (31700-39-7) + 4-bromomethylphenylboronic acid pinacol ester (138500-85-3) → 4,4,5,5-tetramethyl-2-(4-((pyren-4- yloxy)methyl)phenyl)-1,3,2-dioxaborolane

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 6h;

DOI:10.1016/j.tetlet.2020.152460

Reference yield: 50.0%

1-hydroxypyrene (31700-39-7) + 2-benzyloxy-1,1-diphenyl-2,3-allenic alcohol → 3-diphenylmethylenepyrenopyran

Guidance literature:

1-hydroxypyrene; 2-benzyloxy-1,1-diphenyl-2,3-allenic alcohol; With Diethyl phosphate; at 20 - 80 ℃; for 8.5h;

With toluene-4-sulfonic acid; at 80 ℃; for 0.5h;

upstream raw materials:

4-nitropyrene

Downstream raw materials:

pyren-4-ylamine

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