3-甲基-1-苯基丁胺 | 42290-97-1

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 3-甲基-1-苯基丁胺
• 中文别名: (3-甲基-1-苯基丁基)胺盐酸盐；3-甲基-1-苯基丁-1-胺盐酸盐；(1-苯丁基)胺
• 英文名称: 3-methyl-1-phenylbutan-1-amine
• 英文别名: 3-methyl-1-phenyl-butylamine；3-Methyl-1-phenyl-butylamin；δ-Amino-β-methyl-δ-phenyl-butan；1¹-Amino-1-isoamyl-benzol；(Isobutyl-phenyl-carbin)-amin；α-Phenyl-isoamylamin
• CAS: 42290-97-1
• 化学式: C₁₁H₁₇N
• mdl: MFCD06385605
• 分子量: 163.263
• InChiKey: ZTLDKBMTEANJRD-UHFFFAOYSA-N

物化性质

• 熔点：
  133 °C
• 沸点：
  120 °C(Press: 20 Torr)
• 密度：
  0.924±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.454
• 拓扑面积：
  26
• 氢给体数：
  1
• 氢受体数：
  1

安全信息

• 海关编码：
  2921499090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H315,H319,H335
• 储存条件：
  室温

反应信息

• 作为反应物：
  描述：

  3-甲基-1-苯基丁胺 在 α-苯乙胺 、 zinc(II) chloride lithium aluminium tetrahydride 作用下， 以 乙醚 、 甲苯 为溶剂， 反应 22.0h， 生成 (1R,2R)-2-((S)-3-Methyl-1-phenyl-butylamino)-1,2-diphenyl-ethanol
  参考文献：
  名称：

  Alcaide, Benito; Dominguez, Gema; Lopez-Mardomingo, Carmen, Journal of the Chemical Society. Perkin transactions II, 1986, p. 99 - 104

  摘要：

  DOI：
• 作为产物：
  描述：

  异丁基苯基酮 在 ammonium acetate 、 sodium cyanoborohydride 、 盐酸 、 sodium hydroxide 作用下， 以 甲醇 、 水 为溶剂， 反应 72.0h， 以60%的产率得到3-甲基-1-苯基丁胺
  参考文献：
  名称：

  3-(2-Aminocarbonylphenyl)propanoic acid analogs as potent and selective EP3 receptor antagonists. Part 1: Discovery and exploration of the carboxyamide side chain

  摘要：

  A series of 3-(2-aminocarbonyl-4-phenoxymethylphenyl) propanoic acid analogs were synthesized and evaluated for their EP3 antagonist activity in the presence of additive serum albumin. Several compounds were biologically evaluated for their in vivo efficacy with respect to the PGE(2)-induced uterine contraction in pregnant rats as well as their pharmacokinetics. The discovery process of these potent and selective EP3 antagonists and their structure activity relationship are also presented. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2009.11.023

文献信息

• N-<i>tert</i>-Butyldimethylsilyl Imines as Intermediates for the Synthesis of Amines and Ketones
  作者：Margarita Ortiz-Marciales、Liz M. Tirado、Roberto Colón、María L. Ufret、Ruth Figueroa、Marisabel Lebrón、Melvin DeJesús、Johanna Martínez、Tania Malavé

  DOI：10.1080/00397919808004967

  日期：1998.11

  Abstract Grignard reagents add to benzonitrile at low temperature catalyzed by CuBr and TBSCl affording N-TBS ketimines, which were investigated as intermediaries for the synthesis of primary amines and ketones. N-silylimines were easily obtained by an organolithium addition to benzonitrile followed by a reaction with TBSCl in CH2Cl2. In situ reduction of these imines by BH3 and 1,3,2-oxazaborolidines

  摘要 在 CuBr 和 TBSCl 的催化下，格氏试剂在低温下加入苯甲腈，得到 N-TBS 酮亚胺，作为合成伯胺和酮的中间体进行了研究。N-甲硅烷基亚胺很容易通过将有机锂加成到苄腈中，然后在 CH2Cl2 中与 TBSCl 反应来获得。用 BH3 和 1,3,2-氧杂硼烷 1 或 2 作为手性模板原位还原这些亚胺，得到相应的胺，对映体适度过量。
• BENZENESULFONAMIDE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS
  申请人：Xenon Pharmaceuticals Inc.

  公开号：US20180162868A1

  公开（公告）日：2018-06-14

  This invention is directed to benzenesulfonamide compounds, as stereoisomers, enantiomers, tautomers thereof or mixtures thereof; or pharmaceutically acceptable salts, solvates or prodrugs thereof, for the treatment of diseases or conditions associated with voltage-gated sodium channels, such as epilepsy and/or epileptic seizure disorders.

  这项发明涉及苯磺酰胺化合物，作为其立体异构体、对映异构体、互变异构体或它们的混合物；或其药学上可接受的盐、溶剂合物或前药，用于治疗与电压门控钠通道相关的疾病或症状，如癫痫和/或癫痫发作障碍。
• Fe-Catalyzed radical-type difunctionalization of styrenes with aliphatic aldehydes and trimethylsilyl azide <i>via</i> a decarbonylative alkylation–azidation cascade
  作者：Wei-Yu Li、Qi-Qiang Wang、Luo Yang

  DOI：10.1039/c7ob02598j

  日期：——

  A convenient Fe-catalyzed decarbonylative alkylation–azidation cascade reaction of styrene derivatives with aliphatic aldehydes and TMSN3 to provide aliphatic azides is developed. With DTBP as an oxidant and radical initiator, this reaction smoothly converts aliphatic aldehydes into 1°, 2° and 3° alkyl radicals and subsequently allows for the cascade construction of C(sp3)–C(sp3) and C(sp3)–N bonds

  开发了一种方便的铁衍生物与脂肪族醛和TMSN 3的铁催化的脱羰烷基化-叠氮化级联反应，以提供脂肪族叠氮化物。用DTBP作为氧化剂和自由基引发剂，该反应可将脂肪醛平稳地转化为1°，2°和3°烷基，并随后允许C（sp 3）–C（sp 3）和C（sp 3）级联结构）–N通过自由基插入和亲核叠氮键键合。
• Epoxysuccinic acid derivatives
  申请人：Nippon Chemiphar Co., Ltd.

  公开号：US05843992A1

  公开（公告）日：1998-12-01

  An epoxysuccinic acid derivative having the following formula: ##STR1## \x9bwherein R.sup.1 is hydrogen, alkyl, aryl, or aralkyl; each of R.sup.2 and R.sup.3 independently is aryl, aralkyl or alkyl; X is --O-- or --NR.sup.4 --; and R.sup.4 is hydrogen, alkyl, or aralkyl! is useful for prevention and treatment of bone diseases such as osteoporosis, malignant hypercalcemia and Paget's syndrome, and further useful for treatment of osteoarthritis and rheumatoid arthritis which are accompanied by abnormal enhancement of cathepsin L activity, and furthermore useful as a medicine for treating diseases in which cathepsin B and L participate, such as muscular dystrophy and muscular atrophy.

  具有以下式子的环氧琥珀酸衍生物：##STR1## 其中，R1为氢、烷基、芳基或芳基烷基；R2和R3各自独立地为芳基、芳基烷基或烷基；X为--O--或--NR4--；R4为氢、烷基或芳基烷基！可用于预防和治疗骨疾病，如骨质疏松症、恶性高钙血症和帕吉特综合症，并且可用于治疗伴随有猫hepsin L活性异常增强的骨关节炎和类风湿性关节炎，此外还可用作治疗猫hepsin B和L参与的疾病的药物，如肌营养不良和肌萎缩症。
• [EN] MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR<br/>[FR] MODULATEURS DU RÉGULATEUR DE LA CONDUCTANCE TRANSMEMBRANAIRE DE LA MUCOVISCIDOSE
  申请人：VERTEX PHARMA

  公开号：WO2022076625A1

  公开（公告）日：2022-04-14

  This disclosure provides modulators of Cystic Fibrosis Transmembrane Conductance Regulator (CFTR) having core structure (I), pharmaceutical compositions containing at least one such modulator, methods of treatment of CFTR mediated diseases, including cystic fibrosis, using such modulators and pharmaceutical compositions, combination pharmaceutical compositions and combination therapies, and processes and intermediates for making such modulators.

  本发明提供了囊性纤维化跨膜传导调节因子（CFTR）的调节剂，其具有核心结构（I），包含至少一种这样的调节剂的制药组合物，使用这样的调节剂和制药组合物治疗CFTR介导的疾病，包括囊性纤维化，组合制药组合物和组合疗法，以及制造这样的调节剂的过程和中间体。