7,8,9,10-Tetrahydrobenzo[a]pyrene

Base Information

• Chemical Name: 7,8,9,10-Tetrahydrobenzo[a]pyrene
• CAS No.: 17750-93-5
• Molecular Formula: C20H16
• Molecular Weight: 256.347
• UNII: X6YIN953QD
• DSSTox Substance ID: DTXSID201300493
• Nikkaji Number: J65.900B
• Wikidata: Q27293618

Synonyms:7,8,9,10-tetrahydrobenzo(a)pyrene;7,8,9,10-THBP

Chemical Property of 7,8,9,10-Tetrahydrobenzo[a]pyrene

Chemical Property:

• Vapor Pressure: 5.74E-08mmHg at 25°C
• Boiling Point: 453°C at 760 mmHg
• Flash Point: 220.6°C
• Density: 1.227g/cm³
• XLogP3: 6.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 256.125200510
• Heavy Atom Count: 20
• Complexity: 372

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC2=C(C1)C=C3C=CC4=C5C3=C2C=CC5=CC=C4

Technology Process of 7,8,9,10-Tetrahydrobenzo[a]pyrene

There total 14 articles about 7,8,9,10-Tetrahydrobenzo[a]pyrene 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: 86.0%

benzopyrene (50-32-8,42299-33-2,34505-58-3) → 7,8,9,10-tetrahydrobenzo[a]pyrene (17750-93-5)

Guidance literature:

With hydrogen; platinum(IV) oxide; platinum on activated charcoal; In ethyl acetate; Product distribution; Ambient temperature;

DOI:10.1021/jo01302a010

Reference yield: 72.0%

1-bromo-4-(1-pyrenyl)butane (117846-05-6) → 7,8,9,10-tetrahydrobenzo[a]pyrene (17750-93-5)

Guidance literature:

With silica gel; for 0.25h; Heating; microwave irradiation;

DOI:10.1039/b311750m

Reference yield:

O-benzyloxime of 7,8-dihydrobenzo[a]pyrene-10-(9H)-one → 7,8,9,10-tetrahydrobenzo[a]pyrene (17750-93-5) + benzyl alcohol (100-51-6,185532-71-2) + (+/-)-10-amino-7,8,9,10-tetrahydrobenzo[a]pyrene (358967-91-6)

Guidance literature:

With borane-THF; In tetrahydrofuran; at 0 - 20 ℃; for 17h;

DOI:10.1021/tx010076o

upstream raw materials:

benzopyrene

octane

9,10-dihydrobenzo[a]pyren-(8H)-none

7,8,9,10-tetrahydro-7-oxobenzopyrene-10-carboxylic acid

Downstream raw materials:

7,8-dihydrobenzopyrene

10-acetoxy-7,8,9,10-tetrahydrobenzopyrene

benzopyrene

7,8,9,10,11,12-hexahydrobenzopyrene

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