(3S,4R)-1-叔丁基-4-(2,4-二氟苯基)吡咯烷-3-羧酸 | 455957-94-5

物质功能分类

有机原料 - 杂环化合物

分子结构分类

有机化合物 - 有机杂环化合物 - 吡咯烷类

中文名称

(3S,4R)-1-叔丁基-4-(2,4-二氟苯基)吡咯烷-3-羧酸

中文别名

——

英文名称

(3S,4R)-N-tert-butyl-4-(2,4-difluoro-phenyl)-pyrrolidine-3-carboxylic acid

英文别名

(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carboxylic acid；(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidin-1-ium-3-carboxylate

CAS

455957-94-5

化学式

C₁₅H₁₉F₂NO₂

mdl

——

分子量

283.318

InChiKey

VREKTDQOMSTPDN-NWDGAFQWSA-N

BEILSTEIN

——

EINECS

——

计算性质

辛醇/水分配系数(LogP)：

0.2
重原子数：

20
可旋转键数：

3
环数：

2.0
sp3杂化的碳原子比例：

0.53
拓扑面积：

40.5
氢给体数：

1
氢受体数：

5

安全信息

海关编码：

2933990090
危险性防范说明：

P261,P280,P305+P351+P338
危险性描述：

H302,H315,H319,H332,H335

SDS

SDS：176a8a35824b1afeef3a09c7a2af2c94

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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
——	(4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonitrile	852305-06-7	C₁₅H₁₈F₂N₂	264.318
——	(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonitrile	794500-76-8	C₁₅H₁₈F₂N₂	264.318
——	(3R,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonitrile	794500-77-9	C₁₅H₁₈F₂N₂	264.318
——	PF-884918	862283-30-5	C₂₅H₂₈F₂N₂O₃	442.506

下游产品

中文名称	英文名称	CAS号	化学式	分子量
——	methyl (3S,4R)-4-(2,4-difluorophenyl)pyrrolidine-3-carboxylate	923948-65-6	C₁₂H₁₃F₂NO₂	241.238
——	(3S,4R)-1-tert-butoxycarbonyl-4-(2,4-difluorophenyl)pyrrolidin-3-carboxylic acid	862282-35-7	C₁₆H₁₉F₂NO₄	327.328
——	1-tert-butyl 3-methyl (3S,4R)-4-(2,4-difluorophenyl)pyrrolidine-1,3-dicarboxylate	862284-13-7	C₁₇H₂₁F₂NO₄	341.355
——	1-(1-{[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidin-3-yl]carbonyl}piperidin-4-yl)butane-1,3-dione	1352246-52-6	C₂₄H₃₂F₂N₂O₃	434.526
——	1-{[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidin-3-yl]carbonyl}-4-phenylpiperidin-4-ol	1221821-80-2	C₂₆H₃₂F₂N₂O₂	442.549
——	1-{[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidin-3-yl]carbonyl}-4-butyryl-5-phenyl-1,4-diazocane	1207512-06-8	C₃₁H₄₁F₂N₃O₂	525.682
——	1-[2-(1-{[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidin-3-yl]carbonyl}piperidin-4-yl)-4,5-dimethylphenyl]propan-1-one	938450-48-7	C₃₁H₄₀F₂N₂O₂	510.668
——	2-[(1R)-1'-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]-5-chloro-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N-ethyl-2-methylpropanamide	1243675-34-4	C₃₅H₄₆ClF₂N₃O₂	614.219
——	2-[(1S)-1'-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]-5-chloro-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N-ethyl-2-methylpropanamide	1243675-35-5	C₃₅H₄₆ClF₂N₃O₂	614.219
——	2-[(1S)-1'-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]-5-chloro-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methyl-N-(2-methylpropyl)propanamide	1243675-40-2	C₃₇H₅₀ClF₂N₃O₂	642.273
——	2-[(1S)-1'-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]-5-chloro-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N-ethyl-N,2-dimethylpropanamide	1243675-14-0	C₃₆H₄₈ClF₂N₃O₂	628.246
——	2-[(1S)-1'-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]-5-chloro-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N,N-diethyl-2-methylpropanamide	1243675-15-1	C₃₇H₅₀ClF₂N₃O₂	642.273
——	2-[(1R)-1'-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]-5-chloro-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N,2-dimethylpropanamide	1243675-32-2	C₃₄H₄₄ClF₂N₃O₂	600.192
——	2-[(1S)-1'-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]-5-chloro-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N,2-dimethylpropanamide	1243675-33-3	C₃₄H₄₄ClF₂N₃O₂	600.192
——	2-[(1S)-1'-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]-5-chloro-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methyl-1-pyrrolidin-1-ylpropan-1-one	1243675-20-8	C₃₇H₄₈ClF₂N₃O₂	640.257
——	2-[(1S)-1'-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]-5-chloro-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N,N,2-trimethylpropanamide	1243674-95-4	C₃₅H₄₆ClF₂N₃O₂	614.219
——	2-[(1R)-1'-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]-5-chloro-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N,N,2-trimethylpropanamide	1243674-94-3	C₃₅H₄₆ClF₂N₃O₂	614.219
——	2-[(1S)-1'-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]-5-chloro-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N-(2-hydroxyethyl)-2-methylpropanamide	1243675-47-9	C₃₅H₄₆ClF₂N₃O₃	630.218
——	2-[(1S)-1'-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]-5-chloro-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methyl-N-propan-2-ylpropanamide	1243675-38-8	C₃₆H₄₈ClF₂N₃O₂	628.246
——	1-(azetidin-1-yl)-2-[(1S)-1'-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]-5-chloro-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropan-1-one	1243675-16-2	C₃₆H₄₆ClF₂N₃O₂	626.23
——	N-tert-butyl-2-[(1S)-1'-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]-5-chloro-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide	1243675-39-9	C₃₇H₅₀ClF₂N₃O₂	642.273
——	2-[(1S)-1'-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]-5-chloro-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N-(2-fluoroethyl)-2-methylpropanamide	1243675-43-5	C₃₅H₄₅ClF₃N₃O₂	632.209
——	2-[(1S)-1'-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]-5-chloro-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N-cyclopropyl-2-methylpropanamide	1243675-37-7	C₃₆H₄₆ClF₂N₃O₂	626.23
——	2-[(1R)-1'-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]-5-chloro-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N-cyclopropyl-2-methylpropanamide	1243675-36-6	C₃₆H₄₆ClF₂N₃O₂	626.23
——	2-[(1S)-1'-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]-5-chloro-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N-(1-hydroxy-2-methylpropan-2-yl)-2-methylpropanamide	1243675-50-4	C₃₇H₅₀ClF₂N₃O₃	658.272
——	2-[(1S)-1'-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]-5-chloro-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methyl-N-(oxan-4-yl)propanamide	1243675-48-0	C₃₈H₅₀ClF₂N₃O₃	670.283
——	2-[(1S)-1'-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]-5-chloro-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-[(3S)-3-hydroxypyrrolidin-1-yl]-2-methylpropan-1-one	1243675-27-5	C₃₇H₄₈ClF₂N₃O₃	656.256
——	2-[(1S)-1'-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]-5-chloro-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-methylpropan-1-one	1243675-26-4	C₃₇H₄₈ClF₂N₃O₃	656.256
——	2-[(1S)-1'-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]-5-chloro-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methyl-1-morpholin-4-ylpropan-1-one	1243675-18-4	C₃₇H₄₈ClF₂N₃O₃	656.256
——	2-[(1R)-1'-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]-5-chloro-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide	1243675-45-7	C₃₅H₄₃ClF₅N₃O₂	668.19