(5R,8R,10R)-6-methyl-8-ergolinylmethyl p-toluenesulfonate | 58752-31-1

分子结构分类

有机化合物 - 有机杂环化合物 - 喹啉及其衍生物

中文名称

——

中文别名

——

英文名称

(5R,8R,10R)-6-methyl-8-ergolinylmethyl p-toluenesulfonate

英文别名

6-methylergoline-8β-methanol tosyl ester；6-methyl-8β-tosyloxymethyl-ergoline；6-methyl-8β-(toluene-4-sulfonyloximethyl)-ergoline；6-Methyl-8β-(toluol-4-sulfonyloxymethyl)-ergolin；6-methylergolin-8β-ylmethyl tosylate；6-Methylergolin-8beta-ylmethyl tosylate；[(6aR,9R,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl 4-methylbenzenesulfonate

(5R,8R,10R)-6-methyl-8-ergolinylmethyl p-toluenesulfonate化学式

CAS

58752-31-1

化学式

C₂₃H₂₆N₂O₃S

mdl

——

分子量

410.537

InChiKey

DEHHSXGUVDBSAH-BSLALVQMSA-N

BEILSTEIN

——

EINECS

——

物化性质

熔点：

195-199 °C (decomp)
沸点：

614.5±50.0 °C(Predicted)
密度：

1.267±0.06 g/cm3(Predicted)

计算性质

辛醇/水分配系数(LogP)：

4
重原子数：

29
可旋转键数：

4
环数：

5.0
sp3杂化的碳原子比例：

0.39
拓扑面积：

70.8
氢给体数：

1
氢受体数：

4

上下游信息

上游原料

中文名称	英文名称	CAS号	化学式	分子量
6-甲基麦角灵-8β-甲醇	9,10-dihydrolysergol	18051-16-6	C₁₆H₂₀N₂O	256.348
9,10-二氢麦角酸	9,10-dihydrolysergic acid	5878-43-3	C₁₆H₁₈N₂O₂	270.331
——	9,10-dihydrolysergic acid methyl ester	3006-19-7	C₁₇H₂₀N₂O₂	284.358

下游产品

中文名称	英文名称	CAS号	化学式	分子量
——	2-((6aR,9S,10aR)-7-Methyl-4,6,6a,7,8,9,10,10a-octahydro-indolo[4,3-fg]quinolin-9-ylmethyl)-malonamide	88133-14-6	C₁₉H₂₄N₄O₂	340.425
——	3-(6-Methylergolin-8β-ylmethyl)oxazolidin-2-one	——	C₁₉H₂₃N₃O₂	325.411
——	8β-(3,5-dioxopiperazin-1-ylmethyl)-6-methylergoline	——	C₂₀H₂₄N₄O₂	352.436
——	N-(6-methylergolin-8β-ylmethyl)succinimide	——	C₂₀H₂₃N₃O₂	337.422
氰麦角林	2(R,S)-cyano-3-(6-methylergolin-8β-yl)propioamide	74627-35-3	C₁₉H₂₂N₄O	322.41
——	(5R,8R,10R)-6-methyl-8-(1,2,4-triazol-4-ylmethyl)ergoline	——	C₁₈H₂₁N₅	307.398
——	1-(6-Methylergolin-8β-ylmethyl)imidazole	——	C₁₉H₂₂N₄	306.41
——	(5R,8R,10R)-6-methyl-8-(1-pyrazolylmethyl)ergoline	——	C₁₉H₂₂N₄	306.41
——	Ergoline-8-propanamide, alpha-cyano-N-(3-(dimethylamino)propyl)-6-methyl-, (8-beta)-	88133-15-7	C₂₄H₃₃N₅O	407.559
——	(5R,8R,10R)-8-(methylthiomethyl)ergoline-6-thiocarboxamide	98988-35-3	C₁₇H₂₁N₃S₂	331.506
——	2-Methyl-1-(6-methylergolin-8β-ylmethyl)imidazole	——	C₂₀H₂₄N₄	320.437
——	(5R,8R,10R)-6-Methyl-8-(1,2,4-triazol-1-ylmethyl)ergoline	105579-47-3	C₁₈H₂₁N₅	307.4
——	(5R,8R,10R)-6-methyl-8-(1,2,4-triazol-1-ylmethyl)ergoline	105579-47-3	C₁₈H₂₁N₅	307.398
——	2(R,S)-cyano-3-(6-methylergolin-8β-yl)-N-phenylpropionamide	——	C₂₅H₂₆N₄O	398.508
——	1-(6-Methylergolin-8β-ylmethyl)tetrazole	——	C₁₇H₂₀N₆	308.386
——	(5R,8R,10R)-6-propyl-8-(1,2,4-triazol-1-ylmethyl)ergoline	——	C₂₀H₂₅N₅	335.452
——	2-Ethyl-1-(6-methylergolin-8β-ylmethyl)imidazole	——	C₂₁H₂₆N₄	334.464
——	3,5-Dimethyl-1-(6-methylergolin-8β-ylmethyl)pyrazole	——	C₂₁H₂₆N₄	334.464
——	2-Isopropyl-1-(6-methylergolin-8β-ylmethyl)imidazole	——	C₂₂H₂₈N₄	348.491
——	1-(6-Methylergolin-8β-ylmethyl)-2-propylimidazole	——	C₂₂H₂₈N₄	348.491
——	2-[[(6aR,9R,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl]isoindole-1,3-dione	160730-51-8	C₂₄H₂₃N₃O₂	385.466
——	RV39Sdx97G	115219-11-9	C₂₂H₂₆N₄O₂	378.474
——	2-Ethyl-4-methyl-1-(6-methylergolin-8β-ylmethyl)imidazole	——	C₂₂H₂₈N₄	348.491
——	(5R,8R,10R)-8-(1,2,4-triazol-1-ylmethyl)ergoline	1027079-07-7	C₁₇H₁₉N₅	293.371
——	1-(6-Methylergolin-8β-ylmethyl)-2-phenylimidazole	——	C₂₅H₂₆N₄	382.508
——	(5R,8R,10R)-6-methyl-8-(4-phenyl-1-imidazolylmethyl)ergoline	——	C₂₅H₂₆N₄	382.508
——	ethyl 5-methyl-1-(6-methylergolin-8β-ylmethyl)-4-imidazolecarboxylate	——	C₂₃H₂₈N₄O₂	392.501
——	ethyl 4-methyl-1-(6-methylergolin-8β-ylmethyl)-5-imidazolecarboxylate	——	C₂₃H₂₈N₄O₂	392.501

反应信息

作为反应物：

描述：

(5R,8R,10R)-6-methyl-8-ergolinylmethyl p-toluenesulfonate 在 lithium aluminium tetrahydride 、