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4-methyl-3,4-dihydro-2H-benzo<1,4>thiazine | 6397-11-1

中文名称
——
中文别名
——
英文名称
4-methyl-3,4-dihydro-2H-benzo<1,4>thiazine
英文别名
4-methyl-2,3-dihydro-4H-1,4-benzothiazine;N-methyl-2,3-dihydrobenzo-1,4-thiazine;4-methyl-3,4-dihydro-2H-benzo[1,4]thiazine;4-methyl-3,4-dihydro-2H-benzo[1,4]thiazin;4-Methyl-3.4-dihydro-2H-1.4-benzothiazin;4-Methyl-3,4-dihydro-2H-1,4-benzothiazine;4-methyl-2,3-dihydro-1,4-benzothiazine
4-methyl-3,4-dihydro-2H-benzo<b><1,4>thiazine化学式
CAS
6397-11-1
化学式
C9H11NS
mdl
——
分子量
165.259
InChiKey
AQDYMIVISLTFSR-UHFFFAOYSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

计算性质

  • 辛醇/水分配系数(LogP):
    2.3
  • 重原子数:
    11
  • 可旋转键数:
    0
  • 环数:
    2.0
  • sp3杂化的碳原子比例:
    0.33
  • 拓扑面积:
    28.5
  • 氢给体数:
    0
  • 氢受体数:
    2

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

反应信息

  • 作为反应物:
    描述:
    4-methyl-3,4-dihydro-2H-benzo<1,4>thiazinesodium periodate 作用下, 以 甲醇 为溶剂, 反应 1.0h, 生成 N-methyl-2,3-dihydrobenzo-1,4-thiazine S-oxide
    参考文献:
    名称:
    有机硫化物的生物转化。第 12 部分。Helminthosporium sp.将杂环硫化物转化为手性亚砜。NRRL 4671 和伊莎贝拉被孢霉ATCC 42613
    摘要:
    已经使用真菌生物催化剂 Helminthosporium 物种 NRRL 4671 和 Mortierella isabellina ATCC 42613 对一系列杂环前手性硫化物对映选择性氧化为手性亚砜进行了研究。甲基硫代呋喃基和-噻吩底物在低至中等纯度的生物反式转化中产生 (S)-构型产物与 H. 物种,但氮原子位于距硫中心 8-10 A 最佳距离的吡啶基硫化物产生高对映体纯度的 (S) 亚砜。M. isabellina 对适当取代的苯并噻烷底物的生物转化也产生了高对映体纯度的产物,但在硫处具有 (R) 构型。底物的可接受性以及 H. 物种和 M. 对硫氧化的构型。
    DOI:
    10.1139/cjc-77-4-463
  • 作为产物:
    参考文献:
    名称:
    Eliminative ring fission of 4-acyl-2,3-dihydro-4H-1,4-benzothiazines
    摘要:
    DOI:
    10.1021/jo00170a042
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文献信息

  • Pparalpha/Gamma Agonists and Processes of Preparing
    申请人:Garrett Christine E.
    公开号:US20080221336A1
    公开(公告)日:2008-09-11
    This invention provides a method for preparing compounds having the structure [Formula (I)] wherein L is [Formula (A)] or [Formula (B)] in which R 1 is hydrogen or optionally substituted alkyl, n is zero or 1 and m is 1; wherein R is H, halogen, optionally substituted C 1-6 alkyl or C 1-6 alkoxy; wherein Z is a bond, O or S; wherein p is an integer from 1 to 5; wherein Q is a bond provided that Z is not a bond when p is 1; or Q is O, S or —C(O)NR 6 — in which R 6 is hydrogen, optionally substituted alkyl or cycloalkyl; or Q is —NR 6 —, —NR 5 C(O)NH— or —NR 5 C(O)O— in which R 5 is hydrogen, alkyl or aralkyl provided that p is not 1; wherein W is cycloalkyl, aryl or heterocyclyl; or W and R 6 form a 9- to 10-membered bicyclic ring, which may be optionally substituted or may contain oxygen, nitrogen or sulfur.
    该发明提供了一种制备具有结构[Formula (I)]的化合物的方法,其中L为[Formula (A)]或[Formula (B)],其中R1为氢或可选择取代的烷基,n为零或1,m为1;其中R为H,卤素,可选择取代的C1-6烷基或C1-6烷氧基;其中Z为键,O或S;其中p为1到5的整数;其中Q为一种键,前提是当p为1时Z不是键;或Q为O,S或—C(O)NR6—,其中R6为氢,可选择取代的烷基或环烷基;或Q为—NR6—,—NR5C(O)NH—或—NR5C(O)O—,其中R5为氢,烷基或芳基,前提是p不为1;其中W为环烷基,芳基或杂环烷基;或W和R6形成一个9到10元的双环环,可以选择性取代或含有氧、氮或硫。
  • BIARYL AMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF
    申请人:Katayama Seiji
    公开号:US20130116227A1
    公开(公告)日:2013-05-09
    Disclosed is a novel biaryl amide derivative represented by formula (1) and having an affinity for the aldosterone receptor; also disclosed is a pharmaceutically acceptable salt thereof. (In the formula, A is any of the groups represented by formula (a); L is —CONH—, etc.; R 1 is a substitutable aminosulfonyl group, etc.; R 2 is a hydrogen atom, etc.; R 3 is a hydrogen atom, etc.; R 4 is a hydrogen atom, a halogen atom, hydroxy group, a substitutable amino group, a substitutable C 1-6 alkoxy group, a substitutable 4- to 7-membered cyclic amino group, etc.; R 5a , R 5b and R 5c are each independently hydrogen atoms, etc.; R 6 is a halogen atom, a cyano group, etc.; R 7 and R 8 are each independently a hydrogen atom, etc.; and m is an integer such as 0.)
    揭示了一种表示为公式(1)的新型联苯酰胺衍生物,具有与醛固酮受体的亲和力;还揭示了其药用可接受的盐。(在该公式中,A是由公式(a)表示的任何基团之一;L是—CONH—等;R1是可替代的氨基磺酰基等;R2是氢原子等;R3是氢原子等;R4是氢原子、卤原子、羟基、可替代的氨基基团、可替代的C1-6烷氧基、可替代的4-到7-成员环氨基基团等;R5a、R5b和R5c各自独立地是氢原子等;R6是卤原子、氰基等;R7和R8各自独立地是氢原子等;m是整数,例如0。)
  • POLYMERIZABLE COMPOUND AND OPTICAL ISOMER
    申请人:DIC Corporation
    公开号:US20180022716A1
    公开(公告)日:2018-01-25
    The present invention provides a polymerizable compound having high storage stability without causing crystal precipitation when added to a polymerizable composition. The present invention also provides a polymerizable composition containing the compound. When the filmy polymer produced through polymerization of the polymerizable composition is irradiated with UV light, it hardly discolors or peels from substrate. Further, the present invention provides a polymer produced through polymerization of the polymerizable composition and an optically anisotropic body using the polymer.
    本发明提供了一种聚合物化合物,具有高储存稳定性,添加到聚合物化合物时不会导致结晶沉淀。本发明还提供了含有该化合物的聚合物化合物。当通过聚合物化合物的聚合产生薄膜状聚合物时,若用紫外光照射,它几乎不会变色或脱落。此外,本发明提供了通过聚合物化合物的聚合产生的聚合物,以及使用该聚合物的光学各向异性体。
  • [EN] 3-SUBSTITUTED CARBONYL-NAPHTHO[2,3-B]FURANE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF<br/>[FR] DÉRIVÉ DE CARBONYLE -NAPHTO [2,3-B]FURANE 3-SUBSTITUÉ DÉRIVÉ OU SEL PHARMACEUTIQUEMENT ACCEPTABLE DE CELUI-CI
    申请人:BOSTON BIOMEDICAL INC
    公开号:WO2015120304A1
    公开(公告)日:2015-08-13
    The present invention provides a compound of the following Formula (1) or a pharmaceutically acceptable salt thereof: Formule (i) wherein X is an oxygen atom and the like; Y is -CO-, -S02-and the like; R1 is an optionally- substituted C1-6 alkyl group, an optionally-substituted C1-6 alkylcarbonyl group and the like; R2 is an optionally- substituted C1-6 alkyl group, an optionally-substituted C1-6 alkoxy group, an optionally-substituted amino group, an optionally-substituted 5- to 12-membered monocyclic or polycyclic saturated heterocyclic group and the like; R3, R4, R5, and R6 are independently a hydrogen atom and the like which exhibits excellent effects in suppressing the proliferation and sphere-forming ability of cancer cells, and can be useful as an antitumor drug or cell growth inhibitor.
    本发明提供以下式(1)的化合物或其药学上可接受的盐:式(i)其中X是氧原子等;Y是-CO-,-S02-等;R1是可选择地取代的C1-6烷基,可选择地取代的C1-6烷基羰基等;R2是可选择地取代的C1-6烷基,可选择地取代的C1-6烷氧基,可选择地取代的氨基,可选择地取代的5-至12-成员的单环或多环饱和杂环基等;R3、R4、R5和R6独立地是氢原子等,对抑制癌细胞的增殖和球形形成能力具有出色效果,并可用作抗肿瘤药物或细胞生长抑制剂。
  • [EN] POLYMERIZABLE COMPOUND AND OPTICALLY ANISOTROPIC BODY<br/>[FR] COMPOSÉ POLYMÉRISABLE ET CORPS OPTIQUEMENT ANISOTROPE
    申请人:DAINIPPON INK & CHEMICALS
    公开号:WO2017079867A1
    公开(公告)日:2017-05-18
    There is provided a polymerizable composition, by which discoloration or alignment defects are less likely to occur when a filmy polymer, which is obtained by adding a polymerizable compound to the polymerizable composition and polymerizing this composition, is irradiated with ultraviolet light. There are also provided a polymer obtained by polymerizing the polymerizable composition, and an optically anisotropic body using the polymer. The present invention provides a polymerizable low-wavelength dispersive or polymerizable reverse-wavelength dispersive compound having a partial structure represented by Formula (Z-0). Further, the present invention provides a composition containing the compound; a polymer obtained by polymerizing the composition; and an optically anisotropic body obtained by using the polymer.
    提供一种可聚合的组合物,通过该组合物得到的薄膜聚合物在紫外光照射时,不太容易发生变色或排列缺陷。还提供了通过聚合该聚合物组合物得到的聚合物,以及使用该聚合物的光学各向异性体。本发明提供了一种具有由式(Z-0)表示的部分结构的可聚合低波长色散或可聚合反波长色散化合物。此外,本发明提供了一种含有该化合物的组合物;通过聚合该组合物得到的聚合物;以及通过使用该聚合物得到的光学各向异性体。
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