3-Methoxy Benzo[a]pyrene

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Names

[ CAS No. ]:
63059-68-7

[ Name ]:
3-Methoxy Benzo[a]pyrene

[Synonym ]:
8-Methoxy-3,4-benzpyrene
3-methoxybenzo<a>pyrene
8-methoxybenzo<a>pyrene
3-Methoxy Benzopyrene

Chemical & Physical Properties

[ Density]:
1.282g/cm3

[ Boiling Point ]:
498.6ºC at 760 mmHg

[ Molecular Formula ]:
C₂₁H₁₄O

[ Molecular Weight ]:
282.33500

[ Flash Point ]:
206.4ºC

[ Exact Mass ]:
282.10400

[ PSA ]:
9.23000

[ LogP ]:
5.74580

[ Index of Refraction ]:
1.833

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: DJ6475000

CHEMICAL NAME :: Benzo(a)pyrene, 3-methoxy-

CAS REGISTRY NUMBER :: 63059-68-7

BEILSTEIN REFERENCE NO. :: 3358627

LAST UPDATED :: 199612

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C21-H14-O

MOLECULAR WEIGHT :: 282.35

WISWESSER LINE NOTATION :: L D6 B6666 2AB TJ OO1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 16 mg/kg/13W-I

TOXIC EFFECTS :: Tumorigenic - equivocal tumorigenic agent by RTECS criteria Tumorigenic - tumors at site of application

REFERENCE :: BJCAAI British Journal of Cancer. (Macmillan Press Ltd., Houndmills, Basingstoke, Hants. RG21 2XS, UK) V.1- 1947- Volume(issue)/page/year: 6,400,1952

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 20 mg/kg

TOXIC EFFECTS :: Tumorigenic - equivocal tumorigenic agent by RTECS criteria Blood - leukemia Tumorigenic - tumors at site of application

REFERENCE :: BJCAAI British Journal of Cancer. (Macmillan Press Ltd., Houndmills, Basingstoke, Hants. RG21 2XS, UK) V.1- 1947- Volume(issue)/page/year: 6,400,1952

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

3-methoxy-5-ethynylchrysene
3-Hydroxybenzo(a)pyrene
Dimethyl sulfate
Benzo(a)pyrene
methyl iodide
2-(7-methoxynaphthalen-2-yl)-5,5-dimethyl-1,3,2-dioxaborinane
3-methoxy-5-(trimethylsilylethynyl)chrysene

DownStream

Related Compounds

3-(chloromethyl)benzo[a]pyrene
3-methoxy-7H-benzo[a]anthracen-12-one
3-methoxy-12-methylbenzo[a]anthracene
3-Methoxy-6H-[1,3]dioxolo[5,6]benzofuro[3,2-c][1]benzopyran
3-methoxy-5,8,14,14a-tetrahydro-6H-[1,3]dioxolo[4,5-g]isoquino[2,1-b]isoquinolin-2-ol
3-Methoxy-6H-[1,3]dioxolo[5,6]benzofuro[3,2-c][1]benzopyran-6-one
tert-Butyl 4-(1-(2,5-dichlorobenzyl)-1H-benzo[d]imidazol-2-yl)piperazine-1-carboxylate
tert-Butyl 4-(1-(4-chlorobenzyl)-1H-benzo[d]imidazol-2-yl)piperazine-1-carboxylate
Tert-butyl (1-(3-aminoquinoxalin-2-yl)piperidin-3-yl)carbamate
tert-butyl (1-(1-(2,5-dichlorobenzyl)-1H-benzo[d]imidazol-2-yl)piperidin-3-yl)carbamate
tert-butyl (1-(1-(2,4-dichlorobenzyl)-1H-benzo[d]imidazol-2-yl)piperidin-3-yl)carbamate
tert-butyl (1-(1-(3-fluorobenzyl)-1H-benzo[d]imidazol-2-yl)pyrrolidin-3-yl)carbamate
Tert-butyl (1-((3-chloropyrazin-2-yl)methyl)piperidin-4-yl)carbamate
(5-(Butyl(ethyl)carbamoyl)-2-chlorophenyl)boronic acid
N-[(3-bromophenyl)(cyano)methyl]-6-hydroxy-2-methylpyridine-3-carboxamide
Tert-butyl ((1-(5-bromopyridin-2-yl)piperidin-2-yl)methyl)carbamate

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