首页分子通化学资讯化学百科反应查询关于我们

请输入关键词

历史搜索

热门化合物HOT

喹啉
水杨醛
二溴甲烷
谷胱甘肽
L-乳酸
苯巴比妥
辣椒碱
非那明
百草枯
联苯烯

phenyl 4-bromo-2-methoxy-6-methylbenzoate | 1254340-85-6

分子结构分类

有机化合物 - 苯丙烷和聚酮 - 缩酚酸和缩酚酸环醚类

中文名称

——

中文别名

——

英文名称

phenyl 4-bromo-2-methoxy-6-methylbenzoate

英文别名

——

phenyl 4-bromo-2-methoxy-6-methylbenzoate化学式

CAS

1254340-85-6

化学式

C₁₅H₁₃BrO₃

mdl

——

分子量

321.17

InChiKey

YSQDZRIROKZVKE-UHFFFAOYSA-N

BEILSTEIN

——

EINECS

——

物化性质

沸点：

439.2±45.0 °C(Predicted)
密度：

1.400±0.06 g/cm3(Predicted)

计算性质

辛醇/水分配系数(LogP)：

4.4
重原子数：

19
可旋转键数：

4
环数：

2.0
sp3杂化的碳原子比例：

0.13
拓扑面积：

35.5
氢给体数：

0
氢受体数：

3

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
4-溴-2-甲氧基-6-甲基苯甲酸	4-bromo-2-methoxy-6-methylbenzoic acid	877149-08-1	C₉H₉BrO₃	245.073
4-溴-2-甲氧基-6-甲基苯甲醛	4-bromo-2-methoxy-6-methyl-benzaldehyde	1244949-43-6	C₉H₉BrO₂	229.073

下游产品

中文名称	英文名称	CAS号	化学式	分子量
——	phenyl 4-bromo-2-hydroxy-6-methylbenzoate	1254347-06-2	C₁₄H₁₁BrO₃	307.144
——	Phenyl 4-bromo-3-methoxy-2-methyl-6-(phenylmethoxy)benzoate	1254351-84-2	C₂₂H₁₉BrO₄	427.294
——	phenyl 4-bromo-6-hydroxy-3-methoxy-2-methylbenzoate	1254347-07-3	C₁₅H₁₃BrO₄	337.17
——	phenyl 4-bromo-3-chloro-6-methoxy-2-methylbenzoate	1254340-86-7	C₁₅H₁₂BrClO₃	355.615
——	phenyl 4-formyl-2-methoxy-6-methylbenzoate	1254346-10-5	C₁₆H₁₄O₄	270.285
——	phenyl 6-(benzyloxy)-4-bromo-3-chloro-2-methylbenzoate	1254340-87-8	C₂₁H₁₆BrClO₃	431.713
——	phenyl 4-ethenyl-2-methoxy-6-methylbenzoate	1254348-93-0	C₁₇H₁₆O₃	268.312
——	Phenyl 4-bromo-3-chloro-6-hydroxy-2-methylbenzoate	1254343-49-1	C₁₄H₁₀BrClO₃	341.589
——	Phenyl 3-bromo-4-formyl-6-methoxy-2-methylbenzoate	1254348-94-1	C₁₆H₁₃BrO₄	349.181
——	phenyl 4-bromo-6-{[(tert-butoxy)carbonyl]oxy}-3-methoxy-2-methylbenzoate	1254347-08-4	C₂₀H₂₁BrO₆	437.287
——	phenyl 2-(benzyloxy)-3-bromo-4-formyl-6-methylbenzoate	1254346-14-9	C₂₂H₁₇BrO₄	425.279
——	Phenyl 3-bromo-4-formyl-2-hydroxy-5-methoxy-6-methylbenzoate	1335557-44-2	C₁₆H₁₃BrO₅	365.18
——	Phenyl 3-bromo-4-formyl-6-hydroxy-2-methylbenzoate	1254348-95-2	C₁₅H₁₁BrO₄	335.154
——	Phenyl 4,5-bis(hydroxymethyl)-3-methoxy-2-methyl-6-phenylmethoxybenzoate	1335557-46-4	C₂₄H₂₄O₆	408.451
——	Phenyl 5-bromo-4-(hydroxymethyl)-3-methoxy-2-methyl-6-phenylmethoxybenzoate	1335557-45-3	C₂₃H₂₁BrO₅	457.321
——	phenyl 6-(benzyloxy)-3-chloro-4-formyl-2-methylbenzoate	1254340-88-9	C₂₂H₁₇ClO₄	380.828
——	Phenyl 3-chloro-4-(hydroxymethyl)-2-methyl-6-phenylmethoxybenzoate	1254352-28-7	C₂₂H₁₉ClO₄	382.843
——	Phenyl 4-(hydroxymethyl)-2-methyl-6-phenylmethoxy-3-(trifluoromethyl)benzoate	1335557-40-8	C₂₃H₁₉F₃O₄	416.397
——	Phenyl 6-(benzyloxy)-4-formyl-2-methyl-3-(trifluoromethyl)benzoate	1254348-96-3	C₂₃H₁₇F₃O₄	414.381
——	phenyl 6-{[(tert-butoxy)carbonyl]oxy}-4-formyl-3-methoxy-2-methylbenzoate	1254347-09-5	C₂₁H₂₂O₇	386.401
——	Phenyl 3-chloro-4,5-bis(hydroxymethyl)-2-methyl-6-phenylmethoxybenzoate	1335557-38-4	C₂₃H₂₁ClO₅	412.87
——	Phenyl 4,5-bis(hydroxymethyl)-2-methyl-6-phenylmethoxy-3-(trifluoromethyl)benzoate	1335557-42-0	C₂₄H₂₁F₃O₅	446.423
——	Phenyl 4,5-bis(chloromethyl)-3-methoxy-2-methyl-6-phenylmethoxybenzoate	1335557-47-5	C₂₄H₂₂Cl₂O₄	445.342
——	Phenyl 5-bromo-3-chloro-4-(hydroxymethyl)-2-methyl-6-phenylmethoxybenzoate	1254352-29-8	C₂₂H₁₈BrClO₄	461.74
——	Phenyl 5-bromo-4-(hydroxymethyl)-2-methyl-6-phenylmethoxy-3-(trifluoromethyl)benzoate	1335557-41-9	C₂₃H₁₈BrF₃O₄	495.293
——	phenyl 6-(benzyloxy)-3-chloro-4-(dimethoxymethyl)-2-methylbenzoate	——	C₂₄H₂₃ClO₅	426.897
——	Phenyl 3-chloro-4,5-bis(chloromethyl)-2-methyl-6-phenylmethoxybenzoate	1335557-39-5	C₂₃H₁₉Cl₃O₃	449.761
——	Phenyl 4,5-bis(chloromethyl)-2-methyl-6-phenylmethoxy-3-(trifluoromethyl)benzoate	1335557-43-1	C₂₄H₁₉Cl₂F₃O₃	483.314
——	phenyl 2-(benzyloxy)-4-(dimethoxymethyl)-6-methyl-3-(trifluoromethyl)benzoate	——	C₂₅H₂₃F₃O₅	460.45
——	Phenyl 3-methoxy-2-methyl-6-[(2-methylpropan-2-yl)oxycarbonyloxy]-4-phenylbenzoate	1359022-12-0	C₂₆H₂₆O₆	434.489
——	phenyl 4-(3,4-dihydro-2H-pyrrol-5-yl)-6-hydroxy-3-methoxy-2-methylbenzoate	1359021-39-8	C₁₉H₁₉NO₄	325.364
——	phenyl 4-(benzyloxy)-7-methoxy-6-methyl-2-tert-pentylisoindoline-5-carboxylate	1335556-22-3	C₂₉H₃₃NO₄	459.585

反应信息

作为反应物：

描述：

phenyl 4-bromo-2-methoxy-6-methylbenzoate 在甲醇、 sodium tetrahydroborate 、 N-氯代丁二酰亚胺、正丁基锂、三溴化硼、 potassium carbonate 作用下，以四氢呋喃、正己烷、二氯甲烷、丙酮、乙腈为溶剂，反应 48.75h，生成 phenyl 6-(benzyloxy)-3-chloro-2-methyl-4-(pyrrolidin-2-yl)benzoate

参考文献：

名称：

[EN] TETRACYCLINE ANALOGS
[FR] ANALOGUES DE TÉTRACYCLINE

摘要：

本发明涉及一种由结构式(I)表示的化合物，或其药用可接受的盐。结构式(I)的变量在此定义。还描述了一种包括结构式(I)化合物及其治疗用途的药物组合物。

公开号：

WO2012021712A1
作为产物：

描述：

4-溴-2-甲基-6-甲氧基苯胺在 N,N-二甲基甲酰胺盐酸、 4-二甲氨基吡啶、 sodium chlorite 、 sodium dihydrogenphosphate 、 2-甲基-2-丁烯、草酰氯、水、二异丁基氢化铝、三乙胺、 sodium nitrite 作用下，以四氢呋喃、二氯甲烷、水、甲苯、叔丁醇为溶剂，反应 6.5h，生成 phenyl 4-bromo-2-methoxy-6-methylbenzoate

参考文献：

名称：

[EN] POLYCYCLIC TETRACYCLINE COMPOUNDS
[FR] COMPOSÉS POLYCYCLIQUES DE TÉTRACYCLINE

摘要：

公开号：

WO2011123536A8

点击查看最新优质反应信息

文献信息

Tetracycline compounds

申请人：Chen Chi-Li

公开号：US09315451B2

公开（公告）日：2016-04-19

The present invention is directed to a compound represented by Structural Formula (I): or a pharmaceutically acceptable salt thereof. The variables for Structural Formula I are defined herein. Also described is a pharmaceutical composition comprising the compound of Structural Formula I and its therapeutic use.

本发明涉及一种由结构式（I）表示的化合物，或其药学上可接受的盐。结构式I的变量在此处定义。还描述了包括结构式I化合物的药物组合物及其治疗用途。
Tetracycline Compounds

申请人：Chen Chi-Li

公开号：US20120135968A1

公开（公告）日：2012-05-31

The present invention is directed to a compound represented by Structural Formula (I): or a pharmaceutically acceptable salt thereof. The variables for Structural Formula I are defined herein. Also described is a pharmaceutical composition comprising the compound of Structural Formula I and its therapeutic use.

本发明涉及一种由结构式(I)表示的化合物或其药学上可接受的盐。结构式I的变量在此定义。同时还描述了包含结构式I化合物的药物组合物及其治疗用途。
Tetracyline compounds

申请人：Tetraphase Pharmaceuticals, Inc.

公开号：US10315992B2

公开（公告）日：2019-06-11

The present invention is directed to a compound represented by Structural Formula (I): or a pharmaceutically acceptable salt thereof. The variables for Structural Formula (I) are defined herein. Also described is a pharmaceutical composition comprising the compound of Structural Formula (I), or a pharmaceutically acceptable salt thereof, and its therapeutic use.

本发明涉及一种由结构式（I）表示的化合物：或其药学上可接受的盐。结构式（I）的变量在此定义。还描述了一种包含结构式（I）化合物或其药学上可接受的盐的药物组合物及其治疗用途。
Synthesis and Biological Evaluation of 8-Aminomethyltetracycline Derivatives as Novel Antibacterial Agents

作者：Roger B. Clark、Minsheng He、Yonghong Deng、Cuixiang Sun、Chi-Li Chen、Diana K. Hunt、William J. O’Brien、Corey Fyfe、Trudy H. Grossman、Joyce A. Sutcliffe、Catherine Achorn、Philip C. Hogan、Christopher E. Katz、John Niu、Wu-Yan Zhang、Zhijian Zhu、Magnus Ronn、Xiao-Yi Xiao

DOI：10.1021/jm401211t

日期：2013.10.24

The C-8 position of the tetracyclines has been largely underexplored because of limitations in traditional semisynthetic techniques. Employing a total synthetic approach allowed for modifications at the C-7 and C-8 positions, enabling the generation of structure activity relationships for overcoming the two most common tetracycline bacterial-resistance mechanisms: ribosomal protection (tet(M)) and efflux (tet(A)). Ultimately, several compounds were identified with balanced activity against both Gram-positive and Gram-negative bacteria, including pathogens bearing both types of tetracycline-resistance mechanisms. Compounds were screened in a murine systemic infection model to rapidly identify compounds with oral bioavailability, leading to the discovery of several compounds that exhibited efficacy when administered orally in murine pyelonephritis and pneumonia models.
TETRACYCLINE COMPOUNDS

申请人：Tetraphase Pharmaceuticals, Inc.

公开号：EP2427425B1

公开（公告）日：2017-03-08