5-ヘプチルレゾルシノール

5-ヘプチルレゾルシノール 化学構造式
500-67-4
CAS番号.
500-67-4
化学名:
5-ヘプチルレゾルシノール
别名:
5-ヘプチルレソルシノール;5-ヘプチルレゾルシノール;5-ヘプチル-1,3-ベンゼンジオール
英語名:
5-Heptylresorcinol
英語别名:
SPHEROPHORAL;5-Heptylbenzene-1,3-diol;spherophorol;5-Heptyl-1,3-benzenediol;5-HEPTYLRESORCINOL;7-methylheptanoicacid;5-HEPTYLRESORCINOL 95%;3,5-Dihydroxyheptylbenzene;1,3-Benzenediol, 5-heptyl-
CBNumber:
CB5456174
化学式:
C13H20O2
分子量:
208.3
MOL File:
500-67-4.mol

5-ヘプチルレゾルシノール 物理性質

融点 :
55-57°C
沸点 :
342.3±12.0 °C(Predicted)
比重(密度) :
1.033±0.06 g/cm3(Predicted)
貯蔵温度 :
Refrigerator, under inert atmosphere
溶解性:
DMSO(微量)、メタノール(微量)
外見 :
個体
酸解離定数(Pka):
9.57±0.10(Predicted)
色:
ホワイトからオフホワイト
InChI:
InChI=1S/C13H20O2/c1-2-3-4-5-6-7-11-8-12(14)10-13(15)9-11/h8-10,14-15H,2-7H2,1H3
InChIKey:
QENPJKGENOZEEJ-UHFFFAOYSA-N
SMILES:
C1(O)=CC(CCCCCCC)=CC(O)=C1
NISTの化学物質情報:
5-Heptylresorcinol(500-67-4)

安全性情報

5-ヘプチルレゾルシノール 価格

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5-ヘプチルレゾルシノール 化学特性,用途語,生産方法

使用

5-Heptylresorcinol and other alkylhydroxybenzenes have been used to study the protective effect in Saccharomyces cerevisiae against oxidative and radiation-caused damage.

定義

5-Heptylresorcinol is one of the main volatile compounds present in F. japonicum stem oils (6.5%) which presented apparent antioxidant and antibacterial capacities[1]. It is a cannabinoid compound related to the structure of cannabinoids, which has been shown to have cannabinoid effects in animals and humans.

合成

To a solution of 1-heptyl-3,5-dimethoxy-Benzene (388 mg, 1.41 mmol) in dry CH2Cl2 (47 mL) at -78 °C under an argon atmosphere was added boron tribromide (3.4 mL, 1 M solution in CH2Cl2). Following this addition, the reaction temperature was gradually raised over a period of 3 h to 0 °C, and the stirring continued at that temperature until the reaction was completed (28 h). Unreacted boron tribromide was destroyed by adding methanol at -78 °C. The resulting mixture was warmed at room temperature and stirred for 40 min, and the volatiles were removed in vacuo. The residue was diluted with EtOAc and washed with saturated NaHCO3 solution, water, and brine. The organic layer was dried over Na2SO4, filtered, and concentrated under reduced pressure. Purification by flash column chromatography (45% diethyl etherpetroleum ether) afforded 340 mg (97% yield) of the compound as a slightly brown viscous oil: 5-Heptylresorcinol (. The synthesis was carried out as described for 5-Heptylresorcinol by using 15 (1.18 g, 5 mmol) and boron tribromide (11 mL, 11 mmol, 1 M solution in CH2Cl2) in anhydrous CH2Cl2 (40 mL): yield 91% (0.95 g); slightly brown solid; mp 53-54 °C (lit.63 mp 55-56 °C); spectral and analytical data were reported previously.
説明図

5-ヘプチルレゾルシノール 上流と下流の製品情報

原材料

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