Benzo(a)pyrene-7,8-diol, 6-fluoro-7,8-dihydro-, (7R-trans)-

Base Information

Chemical Name:Benzo(a)pyrene-7,8-diol, 6-fluoro-7,8-dihydro-, (7R-trans)-
CAS No.:85552-36-9
Molecular Formula:C20H13FO2
Molecular Weight:304.3144
Hs Code.:
DSSTox Substance ID:DTXSID80234740
Nikkaji Number:J1.108.061H
Wikidata:Q83116569

Synonyms:Benzo(a)pyrene-7,8-diol, 6-fluoro-7,8-dihydro-, (7R-trans)-;85552-36-9;(7R-trans)-6-Fluoro-7,8-dihydrobenzo(a)pyrene-7,8-diol;DTXSID80234740;6-Fluoro-7,8-dihydrobenzo(a)pyrene-7,8-diol (7R-trans)-

Suppliers and Price of Benzo(a)pyrene-7,8-diol, 6-fluoro-7,8-dihydro-, (7R-trans)-

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of Benzo(a)pyrene-7,8-diol, 6-fluoro-7,8-dihydro-, (7R-trans)-

Chemical Property:

Vapor Pressure:3.68E-12mmHg at 25°C
Boiling Point:532.3°Cat760mmHg
Flash Point:275.7°C
Density:1.519g/cm³
XLogP3:4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:0
Exact Mass:304.08995782
Heavy Atom Count:23
Complexity:506

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC2=C3C(=C1)C=CC4=C3C(=C5C=CC(C(C5=C4F)O)O)C=C2
Isomeric SMILES:C1=CC2=C3C(=C1)C=CC4=C3C(=C5C=C[C@H]([C@@H](C5=C4F)O)O)C=C2

Technology Process of Benzo(a)pyrene-7,8-diol, 6-fluoro-7,8-dihydro-, (7R-trans)-

There total 7 articles about Benzo(a)pyrene-7,8-diol, 6-fluoro-7,8-dihydro-, (7R-trans)- 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: 87.0%

: trans-7,8-dibenzoyloxy-6-fluoro-7,8-dihydrobenzo pyrene

: 85552-36-9,83768-92-7
(7R,8R)-6-fluoro-7,8-dihydroxy-7,8-dihydrobenzo[a]pyrene

: 83768-92-7
(+/-)-trans-7,8-dihydroxy-6-fluoro-7,8-dihydrobenzo pyrene

Guidance literature:: With potassium carbonate; In methanol; for 2h; Ambient temperature;
DOI:10.1021/jo9819178

Reference yield:

: 83768-92-7
(+/-)-trans-7,8-dihydroxy-6-fluoro-7,8-dihydrobenzo pyrene

: 85552-36-9,83768-92-7
(7R,8R)-6-fluoro-7,8-dihydroxy-7,8-dihydrobenzo[a]pyrene

: 83768-92-7
(7S,8S)-trans-7,8-dihydroxy-6-fluoro-7,8-dihydrobenzo pyrene

Guidance literature:: With Daicel Chiralcel OG; In hexane; isopropyl alcohol; at 30 ℃;
DOI:10.1021/jo020607t

Reference yield:

: 221347-73-5
6-bromo-9,10-dihydrobenzo pyrene

: 85552-36-9,83768-92-7
(7R,8R)-6-fluoro-7,8-dihydroxy-7,8-dihydrobenzo[a]pyrene

Guidance literature:: Multi-step reaction with 5 steps

1: 75 percent / t-BuLi, NFSi / toluene / 1.5 h / Ambient temperature

2: 46 percent / I₂ / benzene / Heating

3: NBS, AIBN / CCl₄ / 0.22 h / Irradiation; 60

4: 57 mg / Et₃N, NaHCO₃ / toluene / 7 h / Heating

5: K₂CO₃ / methanol / 2 h / Ambient temperature

With N-Bromosuccinimide; 2,2'-azobis(isobutyronitrile); iodine; tert.-butyl lithium; sodium hydrogencarbonate; potassium carbonate; N-fluorobis(benzenesulfon)imide; triethylamine; In methanol; tetrachloromethane; toluene; benzene;
DOI:10.1021/jo9819178