1-Pyrenecarboxaldehyde

Base Information

• Chemical Name: 1-Pyrenecarboxaldehyde
• CAS No.: 3029-19-4
• Molecular Formula: C17H10O
• Molecular Weight: 230.266
• Hs Code.: 29122990
• European Community (EC) Number: 221-196-6
• NSC Number: 30811
• UNII: I9H95PVI1P
• DSSTox Substance ID: DTXSID40184373
• Nikkaji Number: J135.022F
• Wikidata: Q72503687
• Mol file: 3029-19-4.mol

Synonyms:1-pyrenecarboxaldehyde;pyrene-1-aldehyde

Chemical Property of 1-Pyrenecarboxaldehyde

Chemical Property:

• Appearance/Colour: yellow to orange to tan powder
• Vapor Pressure: 7.04E-08mmHg at 25°C
• Melting Point: 123-126 ºC(lit.)
• Refractive Index: 1.875
• Boiling Point: 438.2 ºC at 760 mmHg
• Flash Point: 294.6 ºC
• PSA: 17.07000
• Density: 1.326 g/cm³
• LogP: 4.39650
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Sensitive.: Air Sensitive
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• Water Solubility.: Insoluble in water.
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 230.073164938
• Heavy Atom Count: 18
• Complexity: 337

Purity/Quality:

98% ^*data from raw suppliers

1-Pyrenecarboxaldehyde ^*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

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Polycyclic Aromatic Hydrocarbons
• Canonical SMILES: C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)C=O
• Uses: A novel base-discriminating fluorescent (BDF) compound: a highly polarity-sensitive fluorophore for SNP typing. 1-Pyrenecarboxaldehyde is a important intermediate used in agrochemical, pharmaceutical and dyestuff field. It is used as a highly polarity-sensitive fluorophore for SNP typing.

Technology Process of 1-Pyrenecarboxaldehyde

There total 43 articles about 1-Pyrenecarboxaldehyde 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: 100.0%

1-pyrenemethanol (24463-15-8) → pyrene-1-aldehyde (3029-19-4)

Guidance literature:

With potassium perrhuthenate; In 1,2-dichloro-ethane; at 20 ℃; for 72h;

DOI:10.1039/b212866g

Reference yield: 96.0%

pyrene (129-00-0) + Dichloromethyl methyl ether (4885-02-3) → pyrene-1-aldehyde (3029-19-4)

Guidance literature:

With titanium tetrachloride; In dichloromethane; at 0 - 20 ℃; for 2.5h;

DOI:10.1016/j.tetlet.2017.10.007

Reference yield: 87.0%

trans-1-(2-methoxyvinyl)pyrene (93265-41-9) → pyrene-1-aldehyde (3029-19-4) + 9-Methoxy-6a,9-dihydro-7,8-dioxa-benzo[def]chrysene

Guidance literature:

With oxygen; In methanol; Irradiation;

DOI:10.1021/ja00275a040

upstream raw materials:

pyrene

pyrene-1-glyoxylic acid

N-methyl-N-phenylformamide

Dichloromethyl methyl ether

Downstream raw materials:

3-(4-Nitrostyryl)-pyren

3-(2,4-Dinitrostyryl)-pyren

3-(2-Nitro-4-cyan-styryl)-pyren

3-(2,4,6-Trinitrostyryl)-pyren

Refernces

• 1、 Marcus,Fitzpatrick. "-". . p. 1031. Retrieved 1959.
• 2、 Wu, Daniel L.,Wight, Andrea P.,Davis, Mark E.. "Shape-selective oxidation of primary alcohols using perruthenate-containing zeolites". . p. 758 - 759. Retrieved 2003.
• 3、 Zeng, Zhanghua,Torriero, Angel A. J.,Bond, Alan M.,Spiccia, Leone. "Fluorescent and electrochemical sensing of polyphosphate nucleotides by ferrocene functionalised with two ZnII(TACN)(pyrene) complexes". . p. 9154 - 9163. Retrieved 2010.
• 4、 Sinha, Suman,Das, Siuli,Sikari, Rina,Parua, Seuli,Branda?, Paula,Demeshko, Serhiy,Meyer, Franc,Paul, Nanda D.. "Redox Noninnocent Azo-Aromatic Pincers and Their Iron Complexes. Isolation, Characterization, and Catalytic Alcohol Oxidation". . p. 14084 - 14100. Retrieved 2017.
• 5、 Tekuri, Venkatadri,Sahoo, Suban K.,Trivedi, Darshak R.. "Hg2+ induced hydrolysis of thiazole amine based Schiff base: Colorimetric and fluorogenic chemodosimeter for Hg2+ ions in an aqueous medium". . p. 19 - 26. Retrieved 2019.
• 6、 Sikari, Rina,Sinha, Suman,Jash, Upasona,Das, Siuli,Brandao, Paula,De Bruin, Bas,Paul, Nanda D.. "Deprotonation Induced Ligand Oxidation in a NiII Complex of a Redox Noninnocent N1-(2-Aminophenyl)benzene-1,2-diamine and Its Use in Catalytic Alcohol Oxidation". . p. 6114 - 6123. Retrieved 2016.
• 7、 Furuyama, Taniyuki,Maeda, Hajime,Segi, Masahito,Ueno, Ryota. "Effects of substituents on absorption and fluorescence properties of trimethylsilylethynyl- and tert-butylethynyl-pyrenes". . . Retrieved 2020/02/11.
• 8、 -. "Osmium peroxy complex and preparation method and application thereof". Paragraph 0133-0137. . Retrieved 2020/01/25.