1-叔丁氧羰基-2-哌啶甲酰胺 | 388077-74-5

• 物质功能分类: 化学试剂 - 有机试剂 - 酯类
• 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
• 中文名称: 1-叔丁氧羰基-2-哌啶甲酰胺
• 中文别名: N-BOC-2-哌啶甲酰胺；(+/-)-1-N-Boc-2-甲酰胺哌啶；1-Boc-2-哌啶甲酰胺；(+/-)-1-N-BOC-2-甲酰胺哌啶；(+/-)-1-N-Boc-哌啶-2-甲酰胺；1-Boc-哌啶-2-甲酰胺
• 英文名称: tert-butyl 2-carbamoylpiperidine-1-carboxylate
• CAS: 388077-74-5
• 化学式: C₁₁H₂₀N₂O₃
• 分子量: 228.291
• InChiKey: KIFYKONQFFJILQ-UHFFFAOYSA-N

物化性质

• 沸点：
  384.4±31.0 °C(Predicted)
• 密度：
  1.123±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.82
• 拓扑面积：
  72.6
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2933399090
• 危险性防范说明：
  P261,P280,P301+P312,P302+P352,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

反应信息

• 作为反应物：
  描述：

  1-叔丁氧羰基-2-哌啶甲酰胺 在 triethyloxonium fluoroborate 、 氨 作用下， 以 二氯甲烷 、 甲醇 为溶剂， 反应 27.0h， 以79%的产率得到tert-butyl 2-carbamimidoylpiperidine-1-carboxylate
  参考文献：
  名称：

  Design and development of macrocyclization methods for compounds with potential tuberculocidal activity to decrease CYP450 liver cytochrome inhibition

  摘要：

  A procedure for macrocyclization of compounds with potential tuberculocidal activity was developed in order to obtaining compounds with a lower degree of inhibition of the key CYP 3A4 cytochrome.

  DOI：

  10.1134/s1070363217040107
• 作为产物：
  描述：

  1-O-tert-butyl 2-O-ethoxycarbonyl piperidine-1,2-dicarboxylate 在 氨 作用下， 以 四氢呋喃 、 水 为溶剂， 生成 1-叔丁氧羰基-2-哌啶甲酰胺
  参考文献：
  名称：

  [EN] POLYHETEROCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS
  [FR] COMPOSES POLYHETEROCYCLIQUES ET UTILISATION DE CEUX-CI COMME ANTAGONISTES DU RECEPTEUR METABOTROPIQUE DU GLUTAMATE

  摘要：

  本发明涉及公式(I)的新化合物，其中P、Q、X1、X2、X3、X4、X5、X6、R1、R2、R3、m、n和p的定义如公式(I)中所述，或其盐或水合物，以及其制备方法和用于制备的新中间体，含有所述化合物的药物组合物以及所述化合物在治疗中的应用。

  公开号：

  WO2005080386A1

文献信息

• Selective conversion of primary amides to esters promoted by KHSO4
  作者：Narsimha Sattenapally、Jhanvi Sharma、Yuqing Hou

  DOI：10.24820/ark.5550190.p010.392

  日期：——

  Primary amides, either aliphatic or aromatic, are easily converted to the corresponding esters via reflux in lower primary alcohols in the presence of KHSO4. Secondary amides lead to complicated mixtures under analogous conditions, whereas tertiary amides were inert. Use of isopropyl alcohol resulted in the formation of product at slower rate and lower yield along with side products, whereas, use of

  在 KHSO4 存在下，通过在低级伯醇中回流，脂肪族或芳香族伯酰胺很容易转化为相应的酯。仲酰胺在类似条件下会导致复杂的混合物，而叔酰胺是惰性的。异丙醇的使用导致产物的形成速度较慢，产率较低，同时副产物也较低，而使用叔醇不能成功转化，烯丙醇和苯甲醇提供了复杂的混合物。
• Thiazole benzamide derivatives and pharmaceutical compositions for inhibiting cell proliferation, and methods for their use
  申请人：——

  公开号：US20030225147A1

  公开（公告）日：2003-12-04

  Aminothiazole compounds with mono-/di-substituted benzamide are represented by the Formula (I), and their pharmaceutically acceptable salts, pharmaceutically acceptable prodrugs, pharmaceutically active metabolites, and pharmaceutically acceptable salts of said metabolites are described. 1 These agents modulate and/or inhibit the cell proliferation and activity of protein kinases and are useful as pharmaceuticals for treating malignancies and other disorders.

  氨基噻唑化合物与单取代/双取代苯甲酰胺的结构由式(I)表示，并描述了它们的药学上可接受的盐、药学上可接受的前药、药学上活性代谢物以及所述代谢物的药学上可接受的盐。 这些药物调节和/或抑制细胞增殖和蛋白激酶活性，并可用作治疗恶性肿瘤和其他疾病的药物。
• [EN] PROCESS FOR THE PRODUCTION OF COBIMETINIB<br/>[FR] PROCÉDÉ DE PRODUCTION DE COBIMETINIB
  申请人：AZAD PHARMACEUTICAL INGREDIENTS AG

  公开号：WO2019086469A1

  公开（公告）日：2019-05-09

  The present invention relates to a novel route of synthesis for the production of enantiomerically pure Cobimetinib, new intermediates in the synthesis of Cobimetinib and an amorphous Cobimetinib hemifumarate salt comprising a high salt content.

  本发明涉及一种用于生产对映纯Cobimetinib的新型合成路线，Cobimetinib合成中的新中间体以及含有高盐含量的非晶态Cobimetinib富马酸半盐。
• Vanilloid receptor ligands and their use in treatments
  申请人：Norman H. Mark

  公开号：US20060058308A1

  公开（公告）日：2006-03-16

  Substituted pyridines and pyrimidines and compositions containing them, for the treatment of acute, inflammatory and neuropathic pain, dental pain, general headache, migraine, cluster headache, mixed-vascular and non-vascular syndromes, tension headache, general inflammation, arthritis, rheumatic diseases, osteoarthritis, inflammatory bowel disorders, inflammatory eye disorders, inflammatory or unstable bladder disorders, psoriasis, skin complaints with inflammatory components, chronic inflammatory conditions, inflammatory pain and associated hyperalgesia and allodynia, neuropathic pain and associated hyperalgesia and allodynia, diabetic neuropathy pain, causalgia, sympathetically maintained pain, deafferentation syndromes, asthma, epithelial tissue damage or dysfunction, herpes simplex, disturbances of visceral motility at respiratory, genitourinary, gastrointestinal or vascular regions, wounds, burns, allergic skin reactions, pruritus, vitiligo, general gastrointestinal disorders, gastric ulceration, duodenal ulcers, diarrhea, gastric lesions induced by necrotising agents, hair growth, vasomotor or allergic rhinitis, bronchial disorders or bladder disorders.

  取代吡啶和嘧啶以及含有它们的组合物，用于治疗急性、炎症性和神经痛、牙痛、普通头痛、偏头痛、集簇头痛、混合血管和非血管综合征、紧张性头痛、一般炎症、关节炎、风湿性疾病、骨关节炎、炎症性肠道疾病、炎症性眼部疾病、炎症性或不稳定的膀胱疾病、牛皮癣、具有炎症成分的皮肤问题、慢性炎症症状、炎症性疼痛及相关的痛觉过敏和触痛、神经痛及相关的痛觉过敏和触痛、糖尿病性神经病痛、烧灼性神经痛、交感神经维持性疼痛、去神经症候群、哮喘、上皮组织损伤或功能障碍、单纯疱疹、呼吸系统、泌尿系统、消化系统或血管区域内脏动力障碍、伤口、烧伤、过敏性皮肤反应、瘙痒、白癜风、一般胃肠道障碍、胃溃疡、十二指肠溃疡、腹泻、由坏死性药剂引起的胃损伤、毛发生长、血管运动性或过敏性鼻炎、支气管疾病或膀胱疾病。
• PIPERIDINE-AMIDE DERIVATIVES
  申请人：Andjelkovic Mirjana

  公开号：US20080300279A1

  公开（公告）日：2008-12-04

  The invention is concerned with novel piperidine-amide derivatives of formula (I) wherein R 1 , R 2 , X and Y are as defined in the description and in the claims, as well as physiologically acceptable salts and esters thereof. These compounds inhibit L-CPT1 and may be used to treat diseases associated with L-CPT1.

  这项发明涉及式（I）中的新型哌啶酰胺衍生物，其中R1、R2、X和Y如描述和权利要求中定义，并且其生理上可接受的盐和酯。这些化合物抑制L-CPT1，可用于治疗与L-CPT1相关的疾病。