2-(methylthio)-8-nitro-6-(trifluoromethyl)-4H-benzo[e][1,3]thiazin-4-one | 1344087-73-5

分子结构分类

有机化合物 - 有机杂环化合物

中文名称

——

中文别名

——

英文名称

2-(methylthio)-8-nitro-6-(trifluoromethyl)-4H-benzo[e][1,3]thiazin-4-one

英文别名

2-(methylthio)-8-nitro-6-(trifluoromethyl)-4H-1,3-benzothiazin-4-one；2-methylthio-6-trifluoromethyl-8-nitro-benzothiazin-4-one；2-methylthio-6-trifluoromethyl-8-nitro-1,3-benzothiazin-4-one；2-methylsulfanyl-8-nitro-6-(trifluoromethyl)-1,3-benzothiazin-4-one

2-(methylthio)-8-nitro-6-(trifluoromethyl)-4H-benzo[e][1,3]thiazin-4-one化学式

CAS

1344087-73-5

化学式

C₁₀H₅F₃N₂O₃S₂

mdl

——

分子量

322.289

InChiKey

NEQVMYXCMMDUHG-UHFFFAOYSA-N

BEILSTEIN

——

EINECS

——

物化性质

沸点：

444.8±55.0 °C(Predicted)
密度：

1.73±0.1 g/cm3(Predicted)

计算性质

辛醇/水分配系数(LogP)：

3.5
重原子数：

20
可旋转键数：

1
环数：

2.0
sp3杂化的碳原子比例：

0.2
拓扑面积：

126
氢给体数：

0
氢受体数：

8

上下游信息

下游产品

中文名称	英文名称	CAS号	化学式	分子量
——	2-(methylamino)-8-nitro-6-(trifluoromethyl)-4H-1,3-benzothiazin-4-one	1396842-99-1	C₁₀H₆F₃N₃O₃S	305.237
——	8-nitro-2-(piperazin-1-yl)-6-(trifluoromethyl)-4H-benzo[e][1,3]thiazin-4-one	1353184-54-9	C₁₃H₁₁F₃N₄O₃S	360.317
——	2-[(4-Fluorophenyl)methylamino]-8-nitro-6-(trifluoromethyl)-1,3-benzothiazin-4-one	1396842-74-2	C₁₆H₉F₄N₃O₃S	399.325
——	2-[(3-Fluorophenyl)methylamino]-8-nitro-6-(trifluoromethyl)-1,3-benzothiazin-4-one	1396842-75-3	C₁₆H₉F₄N₃O₃S	399.325
——	2-(Furan-2-ylmethylamino)-8-nitro-6-(trifluoromethyl)-1,3-benzothiazin-4-one	1396842-77-5	C₁₄H₈F₃N₃O₄S	371.296
——	8-Nitro-2-(4-thiazol-2-ylpiperazin-1-yl)-6-(trifluoromethyl)-1,3-benzothiazin-4-one	1396842-85-5	C₁₆H₁₂F₃N₅O₃S₂	443.43
——	2-(4,4-Difluoro-1-piperidyl)-8-nitro-6-(trifluoromethyl)-1,3-benzothiazin-4-one	1396842-88-8	C₁₄H₁₀F₅N₃O₃S	395.31
——	8-nitro-2-(4-oxopiperidin-1-yl)-6-(trifluoromethyl)-4H-benzo[e][1,3]thiazin-4-one	1396842-55-9	C₁₄H₁₀F₃N₃O₄S	373.312
——	2-[(5-Methylfuran-2-yl)methylamino]-8-nitro-6-(trifluoromethyl)-1,3-benzothiazin-4-one	1396842-78-6	C₁₅H₁₀F₃N₃O₄S	385.323
——	2-[(4-Dimethylaminophenyl)methyl-methyl-amino]-8-nitro-6-(trifluoromethyl)-1,3-benzothiazin-4-one	1396842-87-7	C₁₉H₁₇F₃N₄O₃S	438.43
——	2-[Furan-3-ylmethyl(methyl)amino]-8-nitro-6-(trifluoromethyl)-1,3-benzothiazin-4-one	1396842-80-0	C₁₅H₁₀F₃N₃O₄S	385.323
——	2-(4-cyclohexylpiperazin-1-yl)-8-nitro-6-(trifluoromethyl)-4H-1,3-benzothiazin-4-one	1377239-80-9	C₁₉H₂₁F₃N₄O₃S	442.462
——	8-Nitro-2-(4-pyridin-3-ylpiperazin-1-yl)-6-(trifluoromethyl)-1,3-benzothiazin-4-one	1396842-86-6	C₁₈H₁₄F₃N₅O₃S	437.402
2-(4-(环己基甲基)哌嗪-1-基)-8-硝基-6-三氟甲基-4H-1,3-苯并噻嗪-4-酮	PBTZ169	1377239-83-2	C₂₀H₂₃F₃N₄O₃S	456.489
——	N,N-dimethyl-1-[8-nitro-4-oxo-6-(trifluoromethyl)-1,3-benzothiazin-2-yl]piperidine-4-carboxamide	1396842-82-2	C₁₇H₁₇F₃N₄O₄S	430.408
——	2-(3,3-Difluoropiperidin-1-yl)-8-nitro-6-(trifluoromethyl)-1,3-benzothiazin-4-one	1396842-89-9	C₁₄H₁₀F₅N₃O₃S	395.31
——	2-(4-phenylpiperidin-1-yl)-8-nitro-6-(trifluoro-methyl)-4H-benzo[e][1,3]thiazin-4-one	1396842-98-0	C₂₀H₁₆F₃N₃O₃S	435.427
——	8-Nitro-2-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]-6-(trifluoromethyl)-1,3-benzothiazin-4-one	1396842-84-4	C₁₈H₁₈F₃N₅O₄S	457.433
——	2-(4-(4-chlorophenyl)piperidin-1-yl)-8-nitro-6-(tri-fluoromethyl)-4H-benzo[e][1,3]thiazin-4-one	1427469-45-1	C₂₀H₁₅ClF₃N₃O₃S	469.872
——	2-[(1,5-Dimethylpyrrol-2-yl)methylamino]-8-nitro-6-(trifluoromethyl)-1,3-benzothiazin-4-one	1396842-79-7	C₁₆H₁₃F₃N₄O₃S	398.365
——	2-(4-Morpholin-4-ylpiperidin-1-yl)-8-nitro-6-(trifluoromethyl)-1,3-benzothiazin-4-one	1396842-90-2	C₁₈H₁₉F₃N₄O₄S	444.434
——	2-(2-Morpholin-4-ylanilino)-8-nitro-6-(trifluoromethyl)-1,3-benzothiazin-4-one	1396843-00-7	C₁₉H₁₅F₃N₄O₄S	452.414
——	2-(2,3-Dihydro-1,4-benzodioxin-6-ylmethylamino)-8-nitro-6-(trifluoromethyl)-1,3-benzothiazin-4-one	1396842-73-1	C₁₈H₁₂F₃N₃O₅S	439.372
BTZ 043;2-[(2S)-2-甲基-1,4-二氧杂-8-氮杂螺[4.5]癸烷-8-基]-8-硝基-6-三氟甲基-4H-1,3-苯并噻嗪-4-酮	2-[(2S)-2-methyl-1,4-dioxa-8-azaspiro[4.5]dec-8-yl]-8-nitro-6-(trifluoromethyl)-4H-1,3-benzothiazin-4-one	1161233-85-7	C₁₇H₁₆F₃N₃O₅S	431.392
——	N-methyl-2-(4-(8-nitro-4-oxo-6-(trifluoromethyl)-4H-benzo[e][1,3]thiazin-2-yl)piperazin-1-yl)-N-phenylacetamide	1383531-32-5	C₂₂H₂₀F₃N₅O₄S	507.493
——	2-(4-methoxy-N-methylanilino)-8-nitro-6-(trifluoromethyl)-1,3-benzothiazin-4-one	1396842-76-4	C₁₇H₁₂F₃N₃O₄S	411.361
——	2-(4-(3,4-difluorophenyl)piperidin-1-yl)-8-nitro-6-(trifluoromethyl)-4H-benzo[e][1,3]thiazin-4-one	1427469-48-4	C₂₀H₁₄F₅N₃O₃S	471.407
——	8-Nitro-2-[3-(propoxymethyl)-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]-6-(trifluoromethyl)-1,3-benzothiazin-4-one	1396842-71-9	C₂₀H₂₂F₃N₃O₆S	489.472
——	2-[2-(4-fluorobenzyl)-2,7-diazaspiro[3.5]nonane-7-yl]-6-trifluoromethyl-8-nitro-4H-benzo[e][1,3]thiazin-4-one	——	C₂₃H₂₀F₄N₄O₃S	508.496
——	2-[4-(Furan-3-carbonyl)piperazin-1-yl]-8-nitro-6-(trifluoromethyl)-1,3-benzothiazin-4-one	1396842-83-3	C₁₈H₁₃F₃N₄O₅S	454.386
——	2-[4-(4-Hydroxy-3-methoxyphenyl)piperazin-1-yl]-8-nitro-6-(trifluoromethyl)-1,3-benzothiazin-4-one	1396842-97-9	C₂₀H₁₇F₃N₄O₅S	482.44
——	2-(9-(1-(4-bromophenyl)ethyl)-3,9-diazaspiro[5.5]undecan-3-yl)-8-nitro-6-(trifluoromethyl)-4H-benzo[e][1,3]thiazin-4-one	——	C₂₆H₂₆BrF₃N₄O₃S	611.483
——	8-nitro-2-(4-picolinoylpiperazin-1-yl)-6-(trifluoromethyl)-4H-benzo[e][1,3]thiazin-4-one	1396842-81-1	C₁₉H₁₄F₃N₅O₄S	465.412
——	2-[(3S)-3-methyl-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl]-8-nitro-6-(trifluoromethyl)-1,3-benzothiazin-4-one	1396842-68-4	C₁₆H₁₄F₃N₃O₅S	417.365
——	methyl (2S,3R)-8-[8-nitro-4-oxo-6-(trifluoromethyl)-1,3-benzothiazin-2-yl]-2-phenyl-1,4-dioxa-8-azaspiro[4.5]decane-3-carboxylate	1396842-69-5	C₂₄H₂₀F₃N₃O₇S	551.5

反应信息

作为反应物：

描述：

2-(methylthio)-8-nitro-6-(trifluoromethyl)-4H-benzo[e][1,3]thiazin-4-one 在 1-羟基苯并三唑、盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺作用下，以乙醇、 N,N-二甲基甲酰胺为溶剂，反应 1.5h，生成 6-(trifluoromethyl)-2-[4-(6-chloro-2-methylquinoline-4-carbonyl)piperazin-1-yl]-8-nitro-4H-benzo[e][1,3]thiazin-4-one