3-(dimethylamino)-2,2-dimethylpropyl chloride hydrochloride | 83439-07-0

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 3-(dimethylamino)-2,2-dimethylpropyl chloride hydrochloride
• 英文别名: (3-chloro-2,2-dimethylpropyl)dimethylamine hydrochloride；3-chloro-N,N,2,2-tetramethylpropan-1-amine;hydrochloride
• CAS: 83439-07-0
• 化学式: C₇H₁₆ClN*ClH
• 分子量: 186.125
• InChiKey: QLCHXZVEEOWYHL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.23
• 重原子数：
  10
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  3.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  3-(dimethylamino)-2,2-dimethylpropyl chloride hydrochloride 、 3H-pyrrolo-<2,3-c>phenothiazine 11,11-dioxide 在 sodium hydroxide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以89%的产率得到3-[3-(dimethylamino)-2,2-dimethylpropyl]-3H-pyrrolo[2,3-c]phenothiazine 11,11-dioxide
  参考文献：
  名称：

  N-取代的3H-吡咯并[2,3-c]吩噻嗪11,11-二氧化物的制备

  摘要：

  DOI：

  10.1023/a:1013200321134
• 作为产物：
  描述：

  3-二甲氨基-2,2-二甲基-1-丙醇 在 氯化亚砜 、 N,N-二甲基甲酰胺 作用下， 以 甲苯 为溶剂， 反应 3.0h， 以94%的产率得到3-(dimethylamino)-2,2-dimethylpropyl chloride hydrochloride
  参考文献：
  名称：

  1H-PYRROLO[2,3-B] PYRIDINE DERIVATIVES AND THEIR USE AS KINASE INHIBITORS

  摘要：

  这项发明涉及化合物(I)及其治疗用途：(I) 术语Z、Y和R1的定义如索赔中所述。

  公开号：

  US20150011533A1

文献信息

• [EN] 1H-PYRROLO[2,3-B] PYRIDINE DERIVATIVES AND THEIR USE AS KINASE INHIBITORS<br/>[FR] DÉRIVÉS DE 1H-PYRROLO[2,3-B]PYRIDINE ET LEUR UTILISATION COMME INHIBITEURS DE KINASES
  申请人：VERNALIS R & D LTD

  公开号：WO2013114113A1

  公开（公告）日：2013-08-08

  The inventions relates to compounds of (I) and therapeutic uses thereof : (I) The terms Z, Y, and R1 are as defined in the claims.

  本发明涉及式(I)化合物的化合物及其治疗用途：(I) 其中Z、Y和R1的定义如权利要求中所述。
• Derivatives of benzo(c)fluorenes. III. Synthesis and biological action of some dibasic derivatives of 7-oxo-7H-benzo(c)fluorene
  作者：Iva Vančurová、Jiří Křepelka、František Šmejkal

  DOI：10.1135/cccc19821867

  日期：——

  Alkylation of phenols IIa-IIc by the action of ω-(N,N-dialkylamino)alkyl chlorides IIIa-IIId in an anhydrous or a two-phase medium (toluene-aqueous potassium hydroxide) gave rise to the dibasic derivatives IV-XI. In the two-phase medium, alkylation of IIa with IIIc produced the basic ether XII as the main product, a decarboxylation product, and compound VII. In biological test compound IV showed the strongest antibacterial effects on four kinds of bacteria, was efficacious in vivo against the viruses of encephalomyocarditis and vaccinia, and induced the formation of interferon to the same extent as Tiloron. The antineoplastic effects of the compounds were weaker than those observed with compound I (Benfluron) administered to animals with experimental, transplantable tumours.

  酚的烷基化IIa-IIc通过ω-(N,N-二烷基氨基)烷基氯化物IIIa-IIId在无水或两相介质（甲苯-水合氢氧化钾）的作用下产生了二元衍生物IV-XI。在两相介质中，IIa与IIIc的烷基化产生了主要产物碱性醚XII，一个脱羧产物和化合物VII。在生物测试中，化合物IV对四种细菌表现出最强的抗菌效果，在体内对脑心肌炎病毒和牛痘病毒具有疗效，并诱导干扰素的形成程度与Tiloron相同。这些化合物的抗肿瘤效果弱于用于实验性可移植肿瘤动物的化合物I（Benfluron）观察到的效果。
• Derivatives of benzo(c)fluorene: II. Synthesis and biological effect of basic ethers of 7-oxo-7H-benzo(c)fluorene
  作者：Jiří Křepelka、Iva Vančurová、Jiří Holubek、Milan Mělka、Karel Řežábek

  DOI：10.1135/cccc19821856

  日期：——

  Alkylation of phenols IIa-IIc with ω-(N,N-dialkylamino)alkyl chlorides IIIa-IIId in an aqueous and/or a two-phase (toluene and aqueous potassium hydroxide) medium, and reactions of phenols IId-IIf with isopropylamine, gave rise to ethers IV-XIX. Compounds IV and V were used to prepare derivatives XX-XXVI. Reduction of the 7-oxo group in the compound V by the action of sodium borohydride produced the 7-hydroxy derivatives XXIV-XXVI, whereas reduction under conditions of the Wolf-Kishner reaction led to derivatives XXVII and XXVIII, respectively, which were also obtained by alkylation of XXIX with IIIa in an anhydrous medium. The compound XXIX was prepared by reduction of compound IIa. Most the of compounds prepared had marked antineoplastic effects, particularly compounds IV and V. Compounds V, VII, IX and XVIII exhibited antibacterial effects, and compounds XVI, XVIII and XXIII were as efficacious in subcutaneous application against encephalomyocarditis virus as Tiloron, used as standard.

  将酚类化合物IIa-IIc与ω-(N,N-二烷基氨基)烷基氯化物IIIa-IIId在水性和/或两相（甲苯和水性氢氧化钾）介质中进行烷基化反应，以及酚类化合物IId-IIf与异丙胺的反应，产生了醚类化合物IV-XIX。化合物IV和V用于制备衍生物XX-XXVI。通过钠硼氢化物还原化合物V中的7-酮基团产生7-羟基衍生物XXIV-XXVI，而在Wolf-Kishner反应条件下还原则产生衍生物XXVII和XXVIII，这两者也可通过在无水介质中用IIIa对XXIX进行烷基化而获得。化合物XXIX是通过还原化合物IIa制备的。大多数制备的化合物具有显著的抗肿瘤效果，尤其是化合物IV和V。化合物V、VII、IX和XVIII表现出抗菌效果，而化合物XVI、XVIII和XXIII在皮下应用对脑心肌炎病毒的效果与用作标准的Tiloron一样有效。
• [EN] INDOLYL-PYRIDONE DERIVATIVES<br/>[FR] DÉRIVÉS D'INDOLYLPYRIDONE
  申请人：VERNALIS R & D LTD

  公开号：WO2011010083A1

  公开（公告）日：2011-01-27

  Compounds of formula (I) are inhibitors of Chk1, useful in the treatment of, inter alia, cancers: wherein R1, R2, R5 and R6 are independently selected from hydrogen, hydroxy, methyl, trifluoromethyl, hydroxy methyl, methoxy, trifluoromethoxy, methylamino and dimethylamino; R3, and R4 are independently selected from hydrogen, hydroxy, C1-C3 alkyl, fluoro-(C1-C3)-alkyl, hydroxy-(C1-C3)-alkyl, C1-C3 alkoxy, fluoro-(C1-C3)-alkoxy, hydroxy-(C1-C3)-alkoxy, -N(R11)-R12, -AIk-N(R11)-R12, -0-AIk-N(R11)-R12, -C(=O)OH, carboxy-(C1-C3)-alkyl, or -C(=O)-NH-R13; AIk is a straight or branched chain divalent C1-C6 alkylene radical; R7 and R8 are independently selected from hydrogen, hydroxy, or C1-C3 alkoxy; X is a straight chain divalent C1-C3 alkylene radical, optionally substituted on one or more carbons by R9 and/or R10; W is selected from -C(=O)-N(-R16)- or -N(-R17)-C(=O)-; Y is hydrogen, C1-C3 alkyl, C1-C3 alkoxy, or halo; and Q is an optionally substituted 5-membered monocyclic heteroaryl ring.

  化合物的化学式（I）是Chk1的抑制剂，在治疗癌症等疾病中有用：其中R1、R2、R5和R6分别选自氢、羟基、甲基、三氟甲基、羟甲基、甲氧基、三氟甲氧基、甲基氨基和二甲基氨基；R3和R4分别选自氢、羟基、C1-C3烷基、氟代（C1-C3）-烷基、羟基（C1-C3）-烷基、C1-C3烷氧基、氟代（C1-C3）-烷氧基、羟基（C1-C3）-烷氧基、-N（R11）-R12、-AIk-N（R11）-R12、-O-AIk-N（R11）-R12、-C（=O）OH、羧基（C1-C3）-烷基或-C（=O）-NH-R13；AIk是直链或支链的二价C1-C6烷基基团；R7和R8分别选自氢、羟基或C1-C3烷氧基；X是直链的二价C1-C3烷基基团，可选地在一个或多个碳上由R9和/或R10取代；W选自-C（=O）-N（-R16）-或-N（-R17）-C（=O）-；Y是氢、C1-C3烷基、C1-C3烷氧基或卤素；Q是可选地取代的5-成员单环杂芳基环。
• Hexahydrodibenzodioxane compounds and pharmaceutical compositions
  申请人：Riom Laboratories C.E.R.M. "RL-C.E.R.M." S.A.

  公开号：US04631277A1

  公开（公告）日：1986-12-23

  The invention is dealing with antispasmodic compounds of the formula I ##STR1## in which R.sub.1 denotes H, halogen or a linear or branched C.sub.1 to C.sub.3 alkoxy or alkyl group, R.sub.2, R.sub.3 and R.sub.4 separately denote a linear or branched C.sub.1 to C.sub.4 alkyl group or R.sub.2 and R.sub.3 together with the nitrogen atom to which they are bound form a saturated heterocyclic radical, Z denotes a linear or branched C.sub.1 to C.sub.6 alkylene group and X.sup.- denotes an anion, preferably a halogen ion, and is dealing with intermediates in the preparation of the compounds of formula I.

  该发明涉及式I的抗痉挛化合物##STR1## 其中R.sub.1表示H，卤素或线性或支链的C.sub.1到C.sub.3烷氧基或烷基，R.sub.2、R.sub.3和R.sub.4分别表示线性或支链的C.sub.1到C.sub.4烷基或R.sub.2和R.sub.3与它们结合的氮原子形成饱和杂环基团，Z表示线性或支链的C.sub.1到C.sub.6烷基，X.sup.-表示阴离子，优选为卤素离子，并涉及式I化合物的制备中间体。