3-Hydroxy-7,8-dihydro-7,8-dihydroxybenzo(a)pyrene

Base Information

Chemical Name:3-Hydroxy-7,8-dihydro-7,8-dihydroxybenzo(a)pyrene
CAS No.:99346-47-1
Molecular Formula:C₂₀H₁₄O₃
Molecular Weight:302.329
Hs Code.:
DSSTox Substance ID:DTXSID401034642
Nikkaji Number:J247.558H
Mol file:99346-47-1.mol

Synonyms:3-hydroxy-7,8-dihydro-7,8-dihydroxybenzo(a)pyrene;3-hydroxy-7,8-dihydroxy-7,8-dihydrobenz(a)pyrene;3-OH-BP-7,8-diol;7,8-dihydro-3,7,8-trihydroxybenzo(a)pyrene;7,8-dihydrobenzo(a)pyrene 3,7,8-triol

Suppliers and Price of 3-Hydroxy-7,8-dihydro-7,8-dihydroxybenzo(a)pyrene

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 0 raw suppliers

Chemical Property of 3-Hydroxy-7,8-dihydro-7,8-dihydroxybenzo(a)pyrene

Chemical Property:

Vapor Pressure:6.27E-16mmHg at 25°C
Boiling Point:613.9°Cat760mmHg
Flash Point:297.7°C
Density:1.554g/cm³
XLogP3:3.5
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:0
Exact Mass:302.094294304
Heavy Atom Count:23
Complexity:503

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1=CC2=C(C=C3C=CC4=C(C=CC5=C4C3=C2C=C5)O)C(C1O)O
Isomeric SMILES:C1=CC2=C(C=C3C=CC4=C(C=CC5=C4C3=C2C=C5)O)[C@H]([C@@H]1O)O

Technology Process of 3-Hydroxy-7,8-dihydro-7,8-dihydroxybenzo(a)pyrene

There total 26 articles about 3-Hydroxy-7,8-dihydro-7,8-dihydroxybenzo(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: 90.0%

: 119784-56-4
3-acetoxy-trans-7,8-bis(benzoyloxy)-7,8-dihydrobenzo pyrene

: 99346-47-1,102567-15-7
3,7,8-trihydroxy-trans-7,8-dihydrobenzo pyrene

Guidance literature:: With sodium hydroxide; In tetrahydrofuran; methanol; for 1h; Ambient temperature;
DOI:10.1021/jo00283a020

Reference yield: 90.0%

: 3,7,8-triacetoxybenzo pyrene

: 99346-47-1,102567-15-7
3,7,8-trihydroxy-trans-7,8-dihydrobenzo pyrene

Guidance literature:: With sodium tetrahydroborate; oxygen; In ethanol; for 72h; Ambient temperature;
DOI:10.1016/0040-4039(95)00036-C

Reference yield:

: 93656-81-6
1-methoxypyrene-6-carboxaldehyde

: 99346-47-1,102567-15-7
3,7,8-trihydroxy-trans-7,8-dihydrobenzo pyrene

Guidance literature:: Multi-step reaction with 14 steps

1: 97 percent / pyridine, piperidine / 1.) from 80 deg C to 85 deg C, 30 min, 2.) reflux, 4 h

2: 98 percent / H₂ / 10percent Pd/C / tetrahydrofuran / 5 h / 1810.02 Torr

3: 99.7 percent / LiAlH₄ / tetrahydrofuran / 0.5 h / Heating

4: 98.6 percent / Et₃N / CH₂Cl₂ / 0.25 h / 0 - 5 °C

5: aq. tricaprylylmethylammonium chloride / benzene / 15 h / Heating

6: aq. KOH / ethane-1,2-diol / 8 h / Heating

7: 53 percent / polyphosphoric acid / 2 h / 100 - 105 °C

8: 48percent aq. HBr, CH₃CO₂H / 2 h / Heating

9: NaBH₄ / ethanol / 0.5 h

10: p-toluenesulfonic acid / benzene / 1 h / Heating

11: pyridine / 3 h

12: 1.) I₂ / 1.) benzene, 2.) benzene, from RT to reflux, 80 min

13: 63 percent / 2,3-dichloro-5,6-dicyano-1,4-benzoquinone / dioxane / 4 h / Heating

14: 90 percent / NaOH / methanol; tetrahydrofuran / 1 h / Ambient temperature

With piperidine; pyridine; potassium hydroxide; sodium hydroxide; sodium tetrahydroborate; lithium aluminium tetrahydride; PPA; hydrogen bromide; hydrogen; iodine; Aliquat 336; toluene-4-sulfonic acid; acetic acid; triethylamine; 2,3-dicyano-5,6-dichloro-p-benzoquinone; palladium on activated charcoal; In tetrahydrofuran; 1,4-dioxane; methanol; ethanol; dichloromethane; ethylene glycol; benzene;
DOI:10.1021/jo00283a020