tert-butyl (3-(methoxy(methyl)amino)-3-oxopropyl)(methyl)carbamate | 444341-12-2

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: tert-butyl (3-(methoxy(methyl)amino)-3-oxopropyl)(methyl)carbamate
• 英文别名: Tert-butyl 3-(methoxy(methyl)amino)-3-oxopropyl(methyl)carbamate；tert-butyl N-[3-[methoxy(methyl)amino]-3-oxopropyl]-N-methylcarbamate
• CAS: 444341-12-2
• 化学式: C₁₁H₂₂N₂O₄
• 分子量: 246.307
• InChiKey: QHCVPOUUVUZPOJ-UHFFFAOYSA-N

物化性质

• 沸点：
  303.4±35.0 °C(Predicted)
• 密度：
  1.063±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  17
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.82
• 拓扑面积：
  59.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  tert-butyl (3-(methoxy(methyl)amino)-3-oxopropyl)(methyl)carbamate 在 sodium tetrahydroborate 、 正丁基锂 、 sodium azide 、 水 、 sodium hydride 、 三乙胺 、 三苯基膦 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 5.0h， 生成 tert-butyl 3-(2-aminoethoxy)-3-(5-chloro-2-methylphenyl)propyl(methyl)carbamate
  参考文献：
  名称：

  [EN] RENIN INHIBITORS
  [FR] INHIBITEURS DE LA RÉNINE

  摘要：

  公开号：

  WO2008156816A8
• 作为产物：
  描述：

  ethyl 3-(N-tert-butoxycarbonyl-N-methyl)aminopropionate 在 sodium hydroxide 、 O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate 、 三乙胺 作用下， 以 四氢呋喃 、 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 3.0h， 生成 tert-butyl (3-(methoxy(methyl)amino)-3-oxopropyl)(methyl)carbamate
  参考文献：
  名称：

  [EN] RENIN INHIBITORS
  [FR] INHIBITEURS DE LA RÉNINE

  摘要：

  公开号：

  WO2008156816A8

文献信息

• [EN] 3-ARYLOXY/THIO-3-SUBSTITUTED PROPANAMINES AND THEIR USE IN INHIBITING SEROTONIN AND NOREPHINEPHRINE REUPTAKE<br/>[FR] COMPOSES PHARMACEUTIQUES
  申请人：LILLY CO ELI

  公开号：WO2004043904A1

  公开（公告）日：2004-05-27

  There is provided a compound of formula (I) wherein A is selected from -O- and -S-; X is selected from C2-C8 alkyl, C2-C8 alkenyl, C3-C8 cycloalkyl and C4-C8 cycloalkylalkyl, each of which may be optionally substituted with up to 3 substituents each independently selected from halo, C1-C4 alkyl, C1-C4 alkoxy, C1-C4 alkyl-S(O)n- where n is 0, 1 or 2, -CF3, -CN and -CONH2; Y is selected from phenyl, naphthyl, dihydrobenzothienyl, benzothiazolyl, benzoisothiazolyl, quinolyl, isoquinolyl, naphthyridyl, thienopyridyl, indanyl, 1,3-benzodioxolyl, benzothienyl, indolyl and benzofuranyl, each of which may be optionally substituted with up to 4 or, where possible, 5 substituents each independently selected from halo, C1-C4 alkyl, C1-C4 alkoxy, C1-C4 alkyl-S(O)n- where n is 0, 1 or 2, nitro, acetyl, -CF3, -SCF3 and cyano; and when Y is indolyl it may be substituted or further substituted by an N-substituent selected from C1-C4 alkyl; Z is selected from H, OR3 or F, wherein R3 is selected from H, C1-C6 alkyl and phenyl C1-C6 alkyl; R1 and R2 are each independently H or C1-C4 alkyl; with the proviso that, when Z is H, then Y may not be optionally substituted phenyl or optionally substituted naphthyl.

  提供一种具有以下结构的化合物（I）：其中A从-O-和-S-中选择；X从C2-C8烷基，C2-C8烯基，C3-C8环烷基和C4-C8环烷基烷基中选择，每种基团可能分别被选自卤素，C1-C4烷基，C1-C4烷氧基，C1-C4烷基-S(O)n-（其中n为0，1或2），-CF3，-CN和-CONH2的最多3个取代基所取代；Y从苯基，萘基，二氢苯并噻吩基，苯并噻唑基，苯并异噻唑基，喹啉基，异喹啉基，萘啉基，噻吩吡啉基，茚基，1,3-苯并二氧杂环戊基，苯并噻吩基，吲哚基和苯并呋喃基中选择，每种基团可能分别被选自卤素，C1-C4烷基，C1-C4烷氧基，C1-C4烷基-S(O)n-（其中n为0，1或2），硝基，乙酰基，-CF3，-SCF3和氰基的最多4个或在可能的情况下5个取代基所取代；当Y为吲哚基时，它可以被选自C1-C4烷基的N-取代基取代或进一步取代；Z从H，OR3或F中选择，其中R3从H，C1-C6烷基和苯基C1-C6烷基中选择；R1和R2分别独立地为H或C1-C4烷基；但是，当Z为H时，Y可能不是可选择地取代的苯基或可选择地取代的萘基。
• [EN] PROPANAMINE DERIVATIVES AS SEROTONIN AND NOREPINEPHRINE REUPTAKE INHIBITORS<br/>[FR] DERIVES DE PROPANAMINE UTILISES EN TANT QU'INIHIBITEURS DU RECAPTAGE DE LA SEROTONINE ET DE LA NOREPINEPHRINE
  申请人：LILLY CO ELI

  公开号：WO2004043931A1

  公开（公告）日：2004-05-27

  There is provided a heretoaryloxy/thio 3-substituted propanamine compound of formula (I) wherein A is selected from -O- and -S-; X is selected from phenyl optionally substituted with up to 5 substituents each independently selected from halo, C1-C4 alkyl and C1-C4 alkoxy, thienyl optionally substituted with up to 3 substituents each independently selected from halo and C1-C4 alkyl, and C2-C8 alkyl, C2-C8 alkenyl, C3-C8 cycloalkyl and C4-C8 cycloalkylalkyl, each of which may be optionally substituted with up to 3 substituents each independently selected from halo, C1-C4 alkyl, C1-C4 alkoxy, C1-C4 alkyl-S(O)n- where n is 0, 1 or 2, -CF3, -CN and -CONH2; Y is selected from dihydrobenzothienyl, benzothiazolyl, benzoisothiazolyl, quinolyl, isoquinolyl, naphthyridyl, and thienopyridyl, each of which may be optionally substituted with up to 4 or, where possible, up to 5 substituents each independently selected from halo, C1-C4 alkyl, C1-C4 alkoxy, C1-C4 alkyl-S(O)n- where n is 0, 1 or 2, nitro, acetyl, -CF3, -SCF3 and cyano; Z is selected from H, OR3 or F, wherein R3 is selected from H, C1-C6 alkyl and phenyl C1-C6 alkyl; R1 and R2 are each independently H or C1-C4 alkyl; and pharmaceutically acceptable salts thereof.

  提供了一种公式（I）的醚/硫代3-取代丙胺化合物，其中A选自-O-和-S-；X选自苯基，可选地取代为最多5个取代基，每个取代基独立选自卤素、C1-C4烷基和C1-C4烷氧基，噻吩基，可选地取代为最多3个取代基，每个取代基独立选自卤素和C1-C4烷基，以及C2-C8烷基，C2-C8烯基，C3-C8环烷基和C4-C8环烷基烷基，每个基可选地取代为最多3个取代基，每个取代基独立选自卤素、C1-C4烷基、C1-C4烷氧基、C1-C4烷基-S(O)n-其中n为0、1或2、-CF3、-CN和-CONH2；Y选自二氢苯并噻吩基，苯并噻唑基，苯并异噻唑基，喹啉基，异喹啉基，萘啉基和噻吩吡啉基，每个基可选地取代为最多4个或在可能的情况下，最多5个取代基，每个取代基独立选自卤素、C1-C4烷基、C1-C4烷氧基、C1-C4烷基-S(O)n-其中n为0、1或2、硝基、乙酰基、-CF3、-SCF3和氰基；Z选自H、OR3或F，其中R3选自H、C1-C6烷基和苯基C1-C6烷基；R1和R2各自独立地为H或C1-C4烷基；以及其药学上可接受的盐。
• QUINOLINE AND ISOQUINOLINE DERIVATIVES FOR TREATING PAIN AND PAIN RELATED CONDITIONS
  申请人：Laboratorios del Dr. Esteve, S.A.

  公开号：EP3339304A1

  公开（公告）日：2018-06-27

  The present invention relates to new compounds of formula (I): showing great affinity and activity towards the subunit α2δ of voltage-gated calcium channels (VGCC), especially the α2δ-1 subunit of voltage-gated calcium channels or dual activity towards subunit α2δ of voltage-gated calcium channels (VGCC), especially the α2δ-1 subunit of voltage-gated calcium channels, and the noradrenaline transporter (NET).

  本发明涉及公式（I）的新化合物：对电压门控钙通道（VGCC）的亚单位α2δ具有很高的亲和力和活性，特别是对电压门控钙通道的α2δ-1亚单位或对电压门控钙通道的亚单位α2δ（VGCC）具有双重活性，特别是对电压门控钙通道的α2δ-1亚单位，以及去甲肾上腺素转运体（NET）。
• Antiviral agent
  申请人：——

  公开号：US20040229909A1

  公开（公告）日：2004-11-18

  The present invention provides an integrase inhibitor. The inventors have have found the following compound of formula (I) possessing an integrase inhibitory activity. 1 (wherein, R C and R D taken together with the neighboring carbon atoms form a ring which may be a condensed ring, Y is hydroxy, mercapto or amino; Z is O, S or NH; R A is a group shown by 2 (wherein, C ring is N-containing aromatic heterocycle) or the like)

  本发明提供了一种整合酶抑制剂。发明人发现以下化合物具有整合酶抑制活性，其化学式为(I)。其中，RC和RD与相邻的碳原子一起形成一个环，该环可以是一个缩合环，Y是羟基，巯基或氨基; Z是O，S或NH; RA是由2所示的基团（其中，C环是含N的芳香杂环）或类似基团。
• 3-Aryloxy/thio-3-substituted propanamines and their use in inhibiting serotonin and norephinephrine reuptake
  申请人：Boulet Louis Serge

  公开号：US20060014779A1

  公开（公告）日：2006-01-19

  There is provided a compound of formula (I) wherein A is selected from —O— and —S—; X is selected from C 2 -C 8 alkyl, C 2 -C 8 alkenyl, C 3 -C 8 cycloalkyl and C 4 -C 8 cycloalkylalkyl, each of which may be optionally substituted with up to 3 substituents each independently selected from halo, C 1 -C 4 alkyl, C 1 -C 4 alkoxy, C 1 -C 4 alkyl-S(O) n — where n is 0, 1 or 2 , —CF 3 , —CN and —CONH 2 ; Y is selected from phenyl, naphthyl, dihydrobenzothienyl, benzothiazolyl, benzoisothiazolyl, quinolyl, isoquinolyl, naphthyridyl, thienopyridyl, indanyl, 1,3 -benzodioxolyl, benzothienyl, indolyl and benzofuranyl, each of which may be optionally substituted with up to 4 or, where possible, 5 substituents each independently selected from halo, C 1 -C 4 alkyl, C 1 -C 4 alkoxy, C 1 -C 4 alkyl-S(O) n — where n is 0, 1 or 2 , nitro, acetyl, —CF 3 , —SCF 3 and cyano; and when Y is indolyl it may be substituted or further substituted by an N-substituent selected from C 1 -C 4 alkyl; Z is selected from H, OR 3 or F, wherein R 3 is selected from H, C 1 -C 6 alkyl and phenyl C 1 -C 6 alkyl; R 1 and R 2 are each independently H or C 1 -C 4 alkyl; with the proviso that, when Z is H, then Y may not be optionally substituted phenyl or optionally substituted naphthyl.

  提供了一种化合物，其化学式为（I），其中A从—O—和—S—中选择；X从C2-C8烷基，C2-C8烯基，C3-C8环烷基和C4-C8环烷基烷基中选择，每种基团均可选用最多3个取代基，每个取代基可独立地从氯，C1-C4烷基，C1-C4烷氧基，C1-C4烷基-S（O）n-其中n为0，1或2，—CF3，—CN和—CONH2中选择；Y从苯基，萘基，二氢苯并噻吩基，苯并噻唑基，苯并异噻唑基，喹啉基，异喹啉基，萘啉基，噻吩基，茚基，1,3-苯并二氧杂环基，苯并噻吩基，吲哚基和苯并呋喃基中选择，每种基团均可选用最多4个或在可能的情况下最多5个取代基，每个取代基可独立地从氯，C1-C4烷基，C1-C4烷氧基，C1-C4烷基-S（O）n-其中n为0，1或2，硝基，乙酰基，—CF3，—SCF3和氰基中选择；当Y为吲哚基时，它可以被一个N-取代基所取代，所述取代基从C1-C4烷基中选择；Z从H，OR3或F中选择，其中R3从H，C1-C6烷基和苯基C1-C6烷基中选择；R1和R2各自独立地为H或C1-C4烷基；但是，当Z为H时，Y可能不是可选取代的苯基或可选取代的萘基。