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About This Item
经验公式（希尔记法）:
C20H16O
CAS号:
分子量:
272.34
MDL號碼:
分類程式碼代碼:
12352100
PubChem物質ID:
NACRES:
NA.22
化驗
98%
mp
142-144 °C (lit.)
SMILES 字串
OC1CCCc2c1cc3ccc4cccc5ccc2c3c45
InChI
1S/C20H16O/c21-18-6-2-5-15-16-10-9-13-4-1-3-12-7-8-14(11-17(15)18)20(16)19(12)13/h1,3-4,7-11,18,21H,2,5-6H2
InChI 密鑰
VKUQFYXBPGXTKI-UHFFFAOYSA-N
一般說明
7,8,9,10-Tetrahydrobenzo[a]pyren-7-ol (7-hydroxy-7,8,9,10-tetrahydrobenzo[a]pyrene), a polycyclic aromatic hydrocarbon (PAH), is a substituted benzopyrene. Its bromination reaction with N-bromosaccharin (NBSac) has been investigated. The sulfotransferase-assisted activation of 7-hydroxy-7,8,9,10-tetrahydrobenzo[a]pyrene to form electrophilic, mutagenic, or tumorigenic sulfuric acid ester metabolite, which binds covalently to DNA and leads to mutation, has been reported.
應用
7,8,9,10-Tetrahydrobenzo[a]pyren-7-ol may be used as a starting material in the synthesis of (±)-trans-7,8-dihydroxy-6-fluoro-7,8-dihydrobenzo[a]pyrene.
儲存類別代碼
11 - Combustible Solids
水污染物質分類（WGK）
WGK 3
閃點（°F）
Not applicable
閃點（°C）
Not applicable
V Heisig et al.
Science (New York, N.Y.), 223(4633), 289-291 (1984-01-20)
The laser excited fluorescence-line-narrowed spectrum of DNA modified with (+/-)-r-7,t-8-dihydroxy-t-9,10-epoxy-7,8,9,10-tetrahydrobenzo[a]pyrene (BPDE), the ultimate carcinogenic metabolite of benzo[a]pyrene (BP), has been obtained in a water-glycerol-ethanol glass at 4.2 K. The spectrum was well resolved and highly characteristic of the chromophore. Comparisons
Y J Surh et al.
Chemical research in toxicology, 8(5), 693-698 (1995-07-01)
Some hydroxymethyl-substituted polycyclic aromatic hydrocarbons have been shown to be converted to electrophilic, mutagenic, or tumorigenic sulfuric acid ester metabolites by cytosolic sulfotransferase activity in rodent liver. Likewise, certain types of aromatic compounds with a secondary alcoholic functional group at
Barbara Zajc
The Journal of organic chemistry, 64(6), 1902-1907 (2001-10-25)
Synthesis of (+/-)-trans-7,8-dihydroxy-6-fluoro-7,8-dihydrobenzo[a]pyrene, the metabolite from 6-fluoro-benzo[a]pyrene, is described. Position 6 of 7,8,9,10-tetrahydrobenzo[a]pyren-7-ol (1) was functionalized by bromination with N-bromosaccharin. Regioselectivity in the bromination is thought to derive from a substrate-reagent hydrogen bond. NMR evidence is offered to support this
Recent Progress in the Use of N-Halo Compounds in Organic Synthesis.
Veisi H, et al.
Organic preparations and procedures international, 43(6), 489-540 (2011)
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