329606
Isosafrol
mixture of cis and trans
Synonym(s):
1,2-Methylenedioxy-4-propenylbenzene
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About This Item
Empirical Formula (Hill Notation):
C10H10O2
CAS Number:
Molecular Weight:
162.19
Beilstein:
82640
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
form:
liquid
Recommended Products
form
liquid
refractive index
n20/D 1.573 (lit.)
bp
77-86 °C/3.5 mmHg (lit.)
density
1.12 g/mL at 25 °C (lit.)
SMILES string
C\C=C\c1ccc2OCOc2c1
InChI
1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2-6H,7H2,1H3/b3-2+
InChI key
VHVOLFRBFDOUSH-NSCUHMNNSA-N
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General description
Isosafrol is also referred as 1,2-methylenedioxy-4(1-propenyl)benzene. It is an important intermediate for the synthesis of drugs like L-DOPA. Peracid oxidation of isosafrole yields isomers of 2,4-dimethyl-3,5-bis(3,4-methylenedioxyphenyl)tetrahydrofuran. Encapsulated vanadyl compounds in Y-zeolite pores catalyzed isosafrol oxidation under microwave irradiation was reported.
Application
Isosafrol was used in preparation of 1-(3,4-methylenedioxyphenyl)-2-propanone (MDP-2-P or PMK).
Signal Word
Warning
Hazard Statements
Precautionary Statements
Hazard Classifications
Acute Tox. 4 Oral - Skin Irrit. 2
Storage Class Code
10 - Combustible liquids
WGK
WGK 3
Flash Point(F)
235.4 °F - closed cup
Flash Point(C)
113 °C - closed cup
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
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A Pastrakuljic et al.
Biochemical pharmacology, 53(4), 531-538 (1997-02-21)
Ethoxyresorufin O-deethylation (EROD) has been used as a specific probe for CYP1A1 and CYP1A2. Selective inhibition of one of these cytochromes P450 may differentiate their activity in human liver. Four inhibitors were chosen to examine the selective inhibition of EROD
M Swist et al.
Forensic science international, 149(2-3), 181-192 (2005-03-08)
In our study 1-(3,4-methylenedioxyphenyl)-2-propanone (MDP-2-P or PMK) was prepared by two different routes, i.e. by oxidizing isosafrole in an acid medium and by 1-(3,4-methylenedioxyphenyl)-2-nitropropene reduction. The final product-MDP-2-P was subjected to GC/MS analysis. The intermediates and reaction by-products were identified
Catalytic isosafrol oxidation mediated by impregnated and encapsulated vanadyl-Y-zeolite under microwave irradiation.
Alvarez HM, et al.
Applied Catalysis A: General, 326(1), 82-88 (2007)
Catalytic oxidation of isosafrol by vanadium complexes.
Alvarez HM, et al.
Catalysis Communications, 8(9), 1336-1340 (2007)
M T Donato et al.
Drug metabolism and disposition: the biological fate of chemicals, 23(5), 553-558 (1995-05-01)
The dealkylations of 7-ethoxy- and 7-pentoxyresorufin,p-nitrophenol hydroxylation, and regio- and stereoselective hydroxylation of testosterone were measured to study the stability and inducibility of cytochrome P450 activities in cultured human hepatocytes. The results showed that human hepatocytes in primary culture retain
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