7,8-Dihydrobenzo[a]pyrene

Base Information

• Chemical Name: 7,8-Dihydrobenzo[a]pyrene
• CAS No.: 17573-23-8
• Molecular Formula: C20H14
• Molecular Weight: 254.331
• Hs Code.: 2902909090
• UNII: TI48OJX2PI
• DSSTox Substance ID: DTXSID80170013
• Nikkaji Number: J36.049J
• Wikidata: Q83039858
• Mol file: 17573-23-8.mol

Synonyms:7,8-dihydrobenzo(a)pyrene

Chemical Property of 7,8-Dihydrobenzo[a]pyrene

Chemical Property:

• Vapor Pressure: 6.86E-08mmHg at 25°C
• Melting Point: 128°C
• Refractive Index: 1.7040 (estimate)
• Boiling Point: 450.7°Cat760mmHg
• Flash Point: 218.9°C
• PSA: 0.00000
• Density: 1.258g/cm³
• LogP: 5.54340
• XLogP3: 6.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 254.109550447
• Heavy Atom Count: 20
• Complexity: 408

Purity/Quality:

99% ^*data from raw suppliers

7,8-DIHYDROBENZO(A)PYRENE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2=C(C=C1)C3=C4C(=C2)C=CC5=C4C(=CC=C5)C=C3

Technology Process of 7,8-Dihydrobenzo[a]pyrene

There total 15 articles about 7,8-Dihydrobenzo[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: 71.0%

10-hydroxy-7,8,9,10-tetrahydrobenzopyrene (17573-24-9) → 7,8-dihydrobenzopyrene (17573-23-8)

Guidance literature:

With hydrogenchloride; acetic acid; for 0.25h;

DOI:10.1021/jo00171a040

Reference yield: 67.0%

7,8,9,10-tetrahydrobenzopyren-10-one (57652-65-0) → 7,8-dihydrobenzopyrene (17573-23-8)

Guidance literature:

With toluene-4-sulfonic acid; 2,2-Dimethyl-1,3-propanediol; In toluene; for 48h; Reflux;

DOI:10.3184/030823410X12753214605445

Reference yield:

4-(pyren-2-yl)-butanoic acid (84679-52-7) → 7,8-dihydrobenzopyrene (17573-23-8)

Guidance literature:

Multi-step reaction with 3 steps

1: HF (g)

2: 97 percent / sodium borohydride / ethanol / 3 h / 55 - 60 °C

3: 71 percent / glacial acetic acid, conc. HCl / 0.25 h

With hydrogenchloride; sodium tetrahydroborate; hydrogen fluoride; acetic acid; In ethanol;

DOI:10.1021/jo00171a040

upstream raw materials:

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

10-hydroxy-7,8,9,10-tetrahydrobenzopyrene

4-(pyren-2-yl)-butanoic acid

7,8,9,10-tetrahydrobenzopyren-10-one

Downstream raw materials:

trans-9,10-bis(benzoyloxy)-7,8,9,10-tetrahydrobenzopyrene

cis-9,10-bis(benzoyloxy)-7,8,9,10-tetrahydrobenzopyrene

trans-9-iodo-10-carbomethoxyamino-7,8,9,10-tetrahydrobenzo[a]pyrene

cyclic carbamate of cis-9-hydroxy-10-amino-7,8,9,10-tetrahydrobenzo[a]pyrene

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