2-Nitro-4,5,9,10-tetrahydropyrene

Base Information

• Chemical Name: 2-Nitro-4,5,9,10-tetrahydropyrene
• CAS No.: 10549-22-1
• Molecular Formula: C₁₆H₁₃NO₂
• Molecular Weight: 251.285
• Hs Code.: 2904209090
• UNII: ZD2D822ONE
• DSSTox Substance ID: DTXSID30147154
• Wikidata: Q83012333
• ChEMBL ID: CHEMBL167843
• Mol file: 10549-22-1.mol

Synonyms:2-Nitro-4,5,9,10-tetrahydropyrene;10549-22-1;4,5,9,10-Tetrahydro-2-nitropyrene;CCRIS 3372;Pyrene, 4,5,9,10-tetrahydro-2-nitro-;BRN 2058167;ZD2D822ONE;2-Nitro-4,5,9,10-tetrahydro-pyrene;UNII-ZD2D822ONE;CHEMBL167843;SCHEMBL5574402;DTXSID30147154;AKOS024332071;LS-129459

Chemical Property of 2-Nitro-4,5,9,10-tetrahydropyrene

Chemical Property:

• Vapor Pressure: 1.07E-06mmHg at 25°C
• Melting Point: 109-110 °C
• Boiling Point: 414.4°Cat760mmHg
• Flash Point: 199°C
• PSA: 45.82000
• Density: 1.327g/cm³
• LogP: 3.98220
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 251.094628657
• Heavy Atom Count: 19
• Complexity: 351

Purity/Quality:

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2=C3C(=CC(=C2)[N+](=O)[O-])CCC4=CC=CC1=C43

Technology Process of 2-Nitro-4,5,9,10-tetrahydropyrene

There total 7 articles about 2-Nitro-4,5,9,10-tetrahydropyrene 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: 98.0%

4,5,9,10-tetrahydropyrene (781-17-9) → 2-nitro-4,5,9,10-tetrahydropyrene (10549-22-1)

Guidance literature:

With dinitrogen tetraoxide; In dichloromethane; for 1h; Ambient temperature;

DOI:10.1021/jo00039a049

Reference yield: 40.0%

8-methoxy-5-tert-butyl<2.2>-metacyclophane (108835-14-9) → 2-nitro-4,5,9,10-tetrahydropyrene (10549-22-1)

Guidance literature:

With nitric acid; acetic acid; for 1h; Ambient temperature;

DOI:10.1021/jo00263a036

Reference yield:

[2.2]Metacyclophan (51744-98-0,2319-97-3,96290-39-0) → 2-nitro-4,5,9,10-tetrahydropyrene (10549-22-1)

Guidance literature:

With nitric acid; In acetic acid;

DOI:10.1021/jo01282a040

upstream raw materials:

[2.2]Metacyclophan

4,5,9,10-tetrahydropyrene

8-methoxy-5-tert-butyl<2.2>-metacyclophane

pyrene

Downstream raw materials:

2-aminopyrene

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