3-氯-5-硝基苯甲醇 | 79944-62-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 3-氯-5-硝基苯甲醇
• 中文别名: (3-氯-5-硝基苯基)甲醇
• 英文名称: (3-chloro-5-nitrophenyl)methanol
• 英文别名: 3-chloro-5-nitrobenzyl alcohol
• CAS: 79944-62-0
• 化学式: C₇H₆ClNO₃
• mdl: MFCD08236779
• 分子量: 187.583
• InChiKey: LKBQUSJJIYIBDP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.142
• 拓扑面积：
  66
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2906299090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H315,H319,H335

反应信息

• 作为反应物：
  描述：

  3-氯-5-硝基苯甲醇 在 对甲苯磺酸 作用下， 以 甲苯 为溶剂， 25.0 ℃ 、344.74 kPa 条件下， 生成 5-(3-amino-5-chlorophenyl)-2,2-dimethyl-1,3-dioxolan-4-one
  参考文献：
  名称：

  Enzymatic resolution of substituted mandelic acids

  摘要：

  A series of substituted mandelic acids were prepared and subjected to enzymatic resolution utilizing Lipase PS 'Amano'. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(03)01270-x
• 作为产物：
  描述：

  3,5-二硝基苯甲酸 在 盐酸 、 ammonium sulfide 、 硼烷四氢呋喃络合物 、 sodium nitrite 作用下， 以 四氢呋喃 、 甲醇 、 水 为溶剂， 反应 0.0h， 生成 3-氯-5-硝基苯甲醇
  参考文献：
  名称：

  Enzymatic resolution of substituted mandelic acids

  摘要：

  A series of substituted mandelic acids were prepared and subjected to enzymatic resolution utilizing Lipase PS 'Amano'. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(03)01270-x

文献信息

• [EN] DISUBSTITUTED 5-FLUORO PYRIMIDINE DERIVATIVES CONTAINING A SULFOXIMINE GROUP<br/>[FR] DÉRIVÉS DE 5-FLUOROPYRIMIDINE DISUBSTITUÉS CONTENANT UN GROUPE SULFOXIMINE
  申请人：BAYER IP GMBH

  公开号：WO2013037894A1

  公开（公告）日：2013-03-21

  The present invention relates to disubstituted 5-fluoro pyrimidine derivatives containing a sulfoximine group of general formula (I) as described and defined herein, and methods for their preparation, their use for the treatment and/or prophylaxis of disorders, in particular of hyper-proliferative disorders and/or virally induced infectious diseases and/or of cardiovascular diseases. The invention further relates to intermediate compounds useful in the preparation of said compounds of general formula (I).

  本发明涉及含有一种磺氧亚胺基团的二取代5-氟嘧啶衍生物，其一般式（I）如本文所述和定义，并且涉及其制备方法，以及用于治疗和/或预防疾病，特别是高增殖性疾病和/或病毒诱导的传染病和/或心血管疾病的用途。该发明还涉及在制备上述一般式（I）化合物中有用的中间化合物。
• [EN] ISOINDOLINONE COMPOUNDS<br/>[FR] COMPOSÉS D'ISO-INDOLINONE
  申请人：MONTE ROSA THERAPEUTICS

  公开号：WO2021069705A1

  公开（公告）日：2021-04-15

  Disclosed herein is a compound or pharmaceutically acceptable salts or stereoisomers thereof of of formula I wherein X1 is linear or branched C1-6 alkyl, C3-6 cycloalkyl, -C1-6 alkyl C3-6 cycloalkyl, C6-10 aryl, 5-10 membered heteroaryl, C1-6 alkyl C6-10 aryl, C1-6 alkyl 5-10 membered heteroaryl, wherein X1 is unsubstituted or substituted with one or more of halogen, linear or branched C1-6 alkyl, linear or branched C1-6 heteroalkyl, CF3, CHF2, -O-CHF2, -O-(CH2)2-OMe, OCF3, C1-6 alkylamino, -CN, -N(H)C(O)-C1- 6alkyl, -OC(O)-C1-6alkyl, -OC(O)-C1-4alkylamino, -C(O)O-C1-6alkyl, -COOH, - CHO, -C1-6alkylC(O)OH, -C1-6alkylC(O)O-C1-6alkyl, NH2, C1-6 alkoxy or C1-6 alkylhydroxy; X2 is hydrogen, C6-10 aryl, 5-10 membered heteroaryl, -O-(5-10 membered heteroaryl), 4-8 membered heterocycloalkyl, C1-4 alkyl 4-8 membered heterocycloalkyl, -O-(4-8 membered heterocycloalkyl), -O-C1-4 alkyl-(4-8 membered heterocycloalkyl), -OC(O)-C1-4alkyl-4-8 membered heterocycloalkyl or C6 aryloxy, wherein X2 is unsubstituted or substituted with one or more of linear or branched C1-6 alkyl, NH2, NMe2 or 5-6 membered heterocycloalkyl; n is 0, 1 or 2.

  本公开涉及一种化合物或药用可接受盐或其立体异构体，其化学式为I，其中X1为直链或支链的C1-6烷基，C3-6环烷基，-C1-6烷基C3-6环烷基，C6-10芳基，5-10成员杂芳基，C1-6烷基C6-10芳基，C1-6烷基5-10成员杂芳基，其中X1未取代或取代为一个或多个卤素，直链或支链的C1-6烷基，直链或支链的C1-6杂烷基，CF3，CHF2，-O-CHF2，-O-(CH2)2-OMe，OCF3，C1-6烷基氨基，-CN，-N(H)C(O)-C1-6烷基，-OC(O)-C1-6烷基，-OC(O)-C1-4烷基氨基，-C(O)O-C1-6烷基，-COOH，-CHO，-C1-6烷基C(O)OH，-C1-6烷基C(O)O-C1-6烷基，NH2，C1-6烷氧基或C1-6烷基羟基；X2为氢，C6-10芳基，5-10成员杂芳基，-O-(5-10成员杂芳基)，4-8成员杂环烷基，C1-4烷基4-8成员杂环烷基，-O-(4-8成员杂环烷基)，-O-C1-4烷基-(4-8成员杂环烷基)，-OC(O)-C1-4烷基-4-8成员杂环烷基或C6芳氧基，其中X2未取代或取代为一个或多个直链或支链的C1-6烷基，NH2，NMe2或5-6成员杂环烷基；n为0、1或2。
• Fluorine-containing 1,4-disubstituted piperidine derivatives
  申请人：Banyu Pharmaceutical Co., Ltd.

  公开号：US05948792A1

  公开（公告）日：1999-09-07

  Novel fluorine-containing 1,4-disubstituted piperidine derivatives, represented by general formula \x9bI! ##STR1## such as, for example, (2R)-N-\x9b1-(6-aminopyridin-2-ylmethyl)piperidin-4-yl!-2-\x9b(1R)-3,3-difluoroc yclopentyl!-2-hydroxy-2-phenylacetamide or pharmaceutically acceptable salt thereof, are potent and selective antagonists for muscarinic M.sub.3 receptors with little side effects. The compounds of formula \x9bI! exhibit excellent oral activity, duration of activity and pharmacolkinetics. They are useful for treatment and prophylaxis of respiratory diseases, such as chronic obstructive pulmonary diseases; urinary diseases, such as urinary incontinence; and digestive diseases, such as irritable bowel syndrome, and motion sickness.

  含氟的新型1,4-二取代哌啶衍生物，通式\x9bI! ##STR1##例如，(2R)-N-\x9b1-(6-氨基吡啶-2-基甲基)哌啶-4-基!-2-\x9b(1R)-3,3-二氟环戊基!-2-羟基-2-苯乙酰胺或其药用盐，是对M.sub.3受体具有强效和选择性拮抗作用的化合物，副作用很小。通式\x9bI!的化合物表现出优异的口服活性、活性持续时间和药代动力学。它们可用于治疗和预防呼吸系统疾病，如慢性阻塞性肺疾病；泌尿系统疾病，如尿失禁；以及消化系统疾病，如肠易激综合征和晕动病。
• [EN] 4-(ORTHO)-FLUOROPHENYL-5-FLUOROPYRIMIDIN-2-YL AMINES CONTAINING A SULFOXIMINE GROUP<br/>[FR] 4-(ORTHO)-FLUOROPHÉNYL)-5-FLUOROPYRIMIDIN-2-YL AMINES CONTENANT UN GROUPE SULFOXIMINE
  申请人：BAYER PHARMA AG

  公开号：WO2014076028A1

  公开（公告）日：2014-05-22

  The present invention relates to 4-(ortho)-fluorophenyl-5-fluoropyrimidin-2-yl amine derivatives containing a sulfoximine group of general formula (I) as described and defined herein, and methods for their preparation, their use for the treatment and/or prophylaxis of disorders, in particular of hyper-proliferative disorders and/or virally induced infectious diseases and/or of cardiovascular diseases. The invention further relates to intermediate compounds useful in the preparation of said compounds of general formula (I).

  本发明涉及一种含有一般式（I）中所述和定义的亚砜氧基团的4-(邻)-氟苯基-5-氟嘧啶-2-基胺衍生物，以及其制备方法，其用于治疗和/或预防疾病，特别是高增殖性疾病和/或病毒诱导的传染病和/或心血管疾病。本发明还涉及在制备所述一般式（I）化合物中有用的中间化合物。
• New amidino derivatives and their use as thormbin inhibitors
  申请人：——

  公开号：US20020068730A1

  公开（公告）日：2002-06-06

  There is provided compounds of formula I, 1 wherein Y and R 1 have meanings given in the description, and pharmaceutically acceptable derivatives (including prodrugs) thereof, which compounds and derivatives are useful as, or are useful as prodrugs of, competitive inhibitors of trypsin-like proteases, such as thrombin, and thus, in particular, in the treatment of conditions where inhibition of thrombin is required (e.g. thrombosis) or as anticoagulants.

  提供了化合物I，其中Y和R1的含义如描述中所述，并且其药学上可接受的衍生物（包括前药），这些化合物和衍生物在竞争性蛋白酶酶类（如凝血酶）的抑制剂方面具有用处，因此特别适用于治疗需要抑制凝血酶的情况（例如血栓形成）或作为抗凝剂。