Benzo(a)pyrene-7,8-dihydrodiol

Base Information Edit

Chemical Name:Benzo(a)pyrene-7,8-dihydrodiol
CAS No.:13345-25-0
Molecular Formula:C₂₀H₁₄O₂
Molecular Weight:286.33
Hs Code.:2906299090
DSSTox Substance ID:DTXSID70928121
Nikkaji Number:J36.050C
Wikidata:Q26840851
Mol file:13345-25-0.mol

Synonyms:7,8-dihydro 7,8-dihydroxybenzo(a)pyrene;7,8-dihydro-7,8-dihydroxybenzopyrene;7,8-dihydrobenzo(a)pyrene-7,8-diol;7,8-dihydroxy-7,8-dihydrobenzo(a)pyrene;benzo(a)pyrene 7,8-dihydrodiol;benzo(a)pyrene 7,8-dihydrodiol, (7R-trans)-isomer;benzo(a)pyrene 7,8-dihydrodiol, (7S-trans)-isomer;benzo(a)pyrene 7,8-dihydrodiol, (cis)-isomer;benzo(a)pyrene 7,8-dihydrodiol, (trans)-(+-)-isomer;benzo(a)pyrene 7,8-dihydrodiol, (trans)-isomer;benzopyrene-7,8-dihydrodiol;BP-7,8 diol;trans-7,8-dihydroxy-7,8-dihydrobenzo(a)pyrene;trans-benzopyrene 7,8-dihydrodiol

Suppliers and Price of Benzo(a)pyrene-7,8-dihydrodiol

Supply Marketing:Edit

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

American Custom Chemicals Corporation
BENZO(A)PYRENE 7,8-DIHYDRODIOL 95.00%
5MG
$ 501.91

Total 5 raw suppliers

Chemical Property of Benzo(a)pyrene-7,8-dihydrodiol Edit

Chemical Property:

Vapor Pressure:4.47E-13mmHg at 25°C
Boiling Point:553.3°Cat760mmHg
Flash Point:268.6°C
PSA：40.46000
Density:1.46g/cm³
LogP:4.00510
XLogP3:3.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:0
Exact Mass:286.099379685
Heavy Atom Count:22
Complexity:472

Purity/Quality:

99% ^*data from raw suppliers

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC2=C3C(=C1)C=CC4=C3C(=CC5=C4C=CC(C5O)O)C=C2

Technology Process of Benzo(a)pyrene-7,8-dihydrodiol

There total 26 articles about Benzo(a)pyrene-7,8-dihydrodiol 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: 78.0%

: 65199-11-3
benzo[a]pyren-7,8-dione

: 57404-88-3,13345-25-0,60657-25-2,60864-95-1,61443-57-0,62314-67-4,76188-90-4
(-)-trans-7,8-dihydroxy-7,8-dihydrobenzo[a]pyrene

Guidance literature:: With sodium tetrahydroborate; In ethanol; for 3h; Ambient temperature;
DOI:10.1021/jo00150a027

Reference yield:

: 57405-08-0,62654-79-9,63268-37-1,63268-38-2,64912-51-2
(+/-)-trans-7,8-Dihydrobenzo pyrene-7,8-diol dibenzoate

: 57404-88-3,13345-25-0,60657-25-2,60864-95-1,61443-57-0,62314-67-4,76188-90-4
(-)-trans-7,8-dihydroxy-7,8-dihydrobenzo[a]pyrene

Guidance literature:: With sodium methylate;

Reference yield:

: 13345-26-1
7-hydroxy benzo pyrene

: 57404-88-3,13345-25-0,60657-25-2,60864-95-1,61443-57-0,62314-67-4,76188-90-4
(-)-trans-7,8-dihydroxy-7,8-dihydrobenzo[a]pyrene

Guidance literature:: Multi-step reaction with 2 steps

1: 92.2 percent / o-iodoxybenzoic acid / dimethylformamide / 1 h / 20 °C

2: NaBH₄; O₂

With sodium tetrahydroborate; oxygen; 1-hydroxy-3H-benz[d][1,2]iodoxole-1,3-dione; In N,N-dimethyl-formamide;
DOI:10.1021/jo030348n