5-Heptylresorcinol

5-Heptylresorcinol 구조식 이미지
카스 번호:
500-67-4
상품명:
5-Heptylresorcinol
동의어(영문):
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
분자식:
C13H20O2
포뮬러 무게:
208.3
MOL 파일:
500-67-4.mol

5-Heptylresorcinol 속성

녹는점
55-57°C
끓는 점
342.3±12.0 °C(Predicted)
밀도
1.033±0.06 g/cm3(Predicted)
저장 조건
Refrigerator, under inert atmosphere
용해도
DMSO(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태
고체
물리적 상태
단단한 모양
산도 계수 (pKa)
9.57±0.10(Predicted)
색상
흰색에서 황백색까지
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
5-Heptylresorcinol(500-67-4)

안전

5-Heptylresorcinol C화학적 특성, 용도, 생산

용도

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

정의

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.

Synthesis

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.
5-Heptylresorcinol synthesis

5-Heptylresorcinol 준비 용품 및 원자재

원자재

준비 용품


5-Heptylresorcinol 공급 업체

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