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

Base Information Edit
  • 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
  • Mol file:66093-76-3.mol
Benzo(a)pyrene, 12b,12c-dihydro-12b,12c-dimethyl-, trans-

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:Edit
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 0 raw suppliers
Chemical Property of Benzo(a)pyrene, 12b,12c-dihydro-12b,12c-dimethyl-, trans- Edit
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:
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:
Guidance literature:
With diiron nonacarbonyl; In benzene; Heating;
DOI:10.1016/S0040-4039(00)98049-3
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
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
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