329606
异黄樟素（顺式和反式）
mixture of cis and trans
别名:
1,2-亚甲基二氧-4-丙烯基苯
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经验公式（希尔记法）:
C10H10O2
化学文摘社编号:
分子量:
162.19
Beilstein:
82640
EC 号:
MDL编号:
UNSPSC代码:
12352100
PubChem化学物质编号:
NACRES:
NA.22
表单
liquid
折射率
n20/D 1.573 (lit.)
沸点
77-86 °C/3.5 mmHg (lit.)
密度
1.12 g/mL at 25 °C (lit.)
SMILES字符串
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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一般描述
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.
应用
Isosafrol was used in preparation of 1-(3,4-methylenedioxyphenyl)-2-propanone (MDP-2-P or PMK).
警示用语：
Warning
危险声明
危险分类
Acute Tox. 4 Oral - Skin Irrit. 2
储存分类代码
10 - Combustible liquids
WGK
WGK 3
闪点(°F)
235.4 °F - closed cup
闪点(°C)
113 °C - closed cup
个人防护装备
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
法规信息
新产品
此项目有
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
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)
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
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
Catalytic oxidation of isosafrol by vanadium complexes.
Alvarez HM, et al.
Catalysis Communications, 8(9), 1336-1340 (2007)
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