Benzo(a)pyrene, 12b,12c-dihydro-12b,12c-dimethyl-, trans-

Base Information

Chemical Name:Benzo(a)pyrene, 12b,12c-dihydro-12b,12c-dimethyl-, trans-
CAS No.:66093-76-3
Molecular Formula:C22H18
Molecular Weight:282.3783
Hs Code.:
DSSTox Substance ID:DTXSID80984591
Nikkaji Number:J760.146H
Wikidata:Q82971866

Synonyms:66093-76-3;12b,12c-Dihydro-12b,12c-dimethylbenzo(a)pyrene trans-;DTXSID80984591;Benzo(a)pyrene, 12b,12c-dihydro-12b,12c-dimethyl-, trans-;12b,12c-Dimethyl-12b,12c-dihydrobenzo[pqr]tetraphene

Suppliers and Price of Benzo(a)pyrene, 12b,12c-dihydro-12b,12c-dimethyl-, trans-

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
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Total 1 raw suppliers

Chemical Property of Benzo(a)pyrene, 12b,12c-dihydro-12b,12c-dimethyl-, trans-

Chemical Property:

Vapor Pressure:4.86E-10mmHg at 25°C
Boiling Point:510.7°Cat760mmHg
Flash Point:271°C
Density:1.19g/cm³
XLogP3:6.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:0
Rotatable Bond Count:0
Exact Mass:282.140850574
Heavy Atom Count:22
Complexity:736

Purity/Quality:: 85.0-99.8% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC12C3=CC=C4C1(C(=CC5=CC=CC=C54)C=CC2=CC=C3)C
Isomeric SMILES:C[C@]12C3=CC=C4[C@@]1(C(=CC5=CC=CC=C54)C=CC2=CC=C3)C

Technology Process of Benzo(a)pyrene, 12b,12c-dihydro-12b,12c-dimethyl-, trans-

There total 15 articles about Benzo(a)pyrene, 12b,12c-dihydro-12b,12c-dimethyl-, 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: 90.0%

: 138590-19-9
C₂₂H₁₈O

: 66093-76-3
trans-12b,12c-dimethyl-12b,12c-dihydrobenzo pyrene

Guidance literature:: With diiron nonacarbonyl; In benzene; Heating;
DOI:10.1016/S0040-4039(00)98049-3

Reference yield:

: 581-40-8
2,3-dimethylnaphthalene

: 66093-76-3
trans-12b,12c-dimethyl-12b,12c-dihydrobenzo pyrene

Guidance literature:: Multi-step reaction with 9 steps

1: 50 percent / NBS

2: 71 percent / Br₂ / CHCl₃ / 2 h / Heating

3: 85 percent / methanol; dimethylformamide / 3 h / Heating

4: 82 percent / various solvent(s) / 18 h / 180 °C

5: 1.) diisobutylaluminuim hydride, 2.) aq. HCl / 1.) hexane-benzene, 20 deg C, 3 h, 2.) MeOH-H₂O

6: 95 percent / NaBH₄ / tetrahydrofuran / 20 °C

7: 89 percent / 48percent aq. HBr / 4 h / Heating

8: KOH / tetrahydrofuran; H₂O; ethanol / 70 h

9: 1.) n-BuLi, 3.) (CH₃O)2CHBF₄, 4.) KO-t-Bu / 1.) THF, hexane, 0 deg C, 3 min, 3.) CH₂Cl₂, -30 deg C, 4 h, 4.) THF, 0 deg C, 30 min

With hydrogenchloride; potassium hydroxide; sodium tetrahydroborate; N-Bromosuccinimide; n-butyllithium; potassium tert-butylate; hydrogen bromide; bromine; diisobutylaluminium hydride; dimethoxymethylium tetrafluoroborate; In tetrahydrofuran; methanol; ethanol; chloroform; water; N,N-dimethyl-formamide;
DOI:10.1021/ja00373a036

Reference yield:

: 5334-79-2
1-bromo-2,3-dimethylnaphthalene

: 66093-76-3
trans-12b,12c-dimethyl-12b,12c-dihydrobenzo pyrene

Guidance literature:: Multi-step reaction with 5 steps

1: 45 percent / 1.) n-BuLi / diethyl ether; benzene / 1.) reflux, 1 h, 2.) reflux, 1.5 h

2: 96 percent / PBr₃ / diethyl ether / 24 h

3: 15 percent / N-bromosuccinimide / CCl₄ / 5 h

4: KOH / tetrahydrofuran; H₂O; ethanol / 70 h

5: 1.) n-BuLi, 3.) (CH₃O)2CHBF₄, 4.) KO-t-Bu / 1.) THF, hexane, 0 deg C, 3 min, 3.) CH₂Cl₂, -30 deg C, 4 h, 4.) THF, 0 deg C, 30 min

With potassium hydroxide; N-Bromosuccinimide; n-butyllithium; potassium tert-butylate; phosphorus tribromide; dimethoxymethylium tetrafluoroborate; In tetrahydrofuran; tetrachloromethane; diethyl ether; ethanol; water; benzene;
DOI:10.1021/ja00373a036