叔丁氧羰基-4-环己基-哌啶-4-羧酸 | 273378-16-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 中文名称: 叔丁氧羰基-4-环己基-哌啶-4-羧酸
• 中文别名: BOC-4-环己基-哌啶-4-羧酸
• 英文名称: N-boc-4-cyclohexyl-4-piperidinecarboxylic acid
• 英文别名: 1-BOC-4-cyclohexyl-4-piperidinecarboxylic acid；(1-tert-butoxycarbonyl)-4-cyclohexylpiperidine-4-carboxylic acid；1-(tert-Butoxycarbonyl)-4-cyclohexylpiperidine-4-carboxylic acid；4-cyclohexyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
• CAS: 273378-16-8
• 化学式: C₁₇H₂₉NO₄
• 分子量: 311.422
• InChiKey: JGHJZAWKPOYZNI-UHFFFAOYSA-N

物化性质

• 沸点：
  436.5±38.0 °C(Predicted)
• 密度：
  1.130±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  66.8
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 海关编码：
  2933399090

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: Boc-4-cyclohexyl-piperidine-4-carboxylic acid
Synonyms:

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.

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Section 3. Composition/information on ingredients.
Ingredient name: Boc-4-cyclohexyl-piperidine-4-carboxylic acid
CAS number: 273378-16-8

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Section 4. First aid measures
Skin contact: Immediately wash skin with copious amounts of water for at least 15 minutes while removing
contaminated clothing and shoes. If irritation persists, seek medical attention.
Eye contact: Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical
attention.
Inhalation: Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.
Ingestion: Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.

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Section 5. Fire fighting measures
In the event of a fire involving this material, alone or in combination with other materials, use dry
powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
should be worn.

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Section 6. Accidental release measures
Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
standards.
Respiratory precaution: Wear approved mask/respirator
Hand precaution: Wear suitable gloves/gauntlets
Skin protection: Wear suitable protective clothing
Eye protection: Wear suitable eye protection
Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
for disposal. See section 12.
Environmental precautions: Do not allow material to enter drains or water courses.

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Section 7. Handling and storage
Handling: This product should be handled only by, or under the close supervision of, those properly qualified
in the handling and use of potentially hazardous chemicals, who should take into account the fire,
health and chemical hazard data given on this sheet.
Store in closed vessels.
Storage:

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Section 8. Exposure Controls / Personal protection
Engineering Controls: Use only in a chemical fume hood.
Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

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Section 9. Physical and chemical properties
Appearance: Not specified
Boiling point: No data
No data
Melting point:
Flash point: No data
Density: No data
Molecular formula: C17H29NO4
Molecular weight: 311.4

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Section 10. Stability and reactivity
Conditions to avoid: Heat, flames and sparks.
Materials to avoid: Oxidizing agents.
Possible hazardous combustion products: Carbon monoxide, nitrogen oxides.

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Section 11. Toxicological information
No data.

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Section 12. Ecological information
No data.

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Section 13. Disposal consideration
Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
disposal authority, in accordance with national and regional regulations.

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Section 14. Transportation information
Non-harzardous for air and ground transportation.

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Section 15. Regulatory information
No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
Title III, Section 313.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  叔丁氧羰基-4-环己基-哌啶-4-羧酸 在 Rh/Al₂O₃ N-乙基吗啉 、 氢气 、 potassium carbonate 、 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 三氟乙酸 作用下， 以 甲醇 、 methyltertbutyl ether 、 水 、 甲苯 、 乙腈 为溶剂， 70.0 ℃ 、482.64 kPa 条件下， 反应 39.42h， 生成 1-[(2R)-2-amino-3-(4-fluorophenyl)-1-oxopropyl]-4-cyclohexyl-N-(1,1-dimethylethyl)-4-piperidine carboxamide
  参考文献：
  名称：

  [EN] PIPERAZINE UREA DERIVATIVES AS MELANOCORTIN-4 RECEPTOR AGONISTS
  [FR] DERIVES D'UREE DE PIPERAZINE UTILISES COMME AGONISTES DES RECEPTEURS DE MELANOCORTINE-4

  摘要：

  某些新型哌嗪脲衍生物是人类黑色素皮质素-4受体（MC-4R）的激动剂，特别是MC-4R的受体亚型选择性激动剂。它们对于治疗、控制或预防对MC-4R激活敏感的疾病和疾病是有用的，例如肥胖症和糖尿病。

  公开号：

  WO2004024720A1
• 作为产物：
  描述：

  保护的4-苯基哌啶-4-羧酸 以 乙醇 、 氢气 、 铑 为溶剂， 60.0 ℃ 、79.99 MPa 条件下， 反应 20.0h， 以pure crystalline N-Boc-4-cyclohexyl-4-piperidinecarboxylic acid was isolated 4.0 g (100%)的产率得到叔丁氧羰基-4-环己基-哌啶-4-羧酸
  参考文献：
  名称：

  Dual NK2/NK3-antagonists, pharmaceutical compositions comprising them, and processes for their preparation

  摘要：

  公式I对应的双重NK2 / NK3拮抗剂：以及这种化合物的生理相容性盐，其中X和R1到R5具有特定定义的含义，含有这种化合物的制药组合物，使用这种化合物治疗或抑制由速激肽受体介导的疾病的方法，以及制备这种化合物的过程。

  公开号：

  US20070219214A1

文献信息

• Substituted piperidines as melanocortin-4 receptor agonists
  申请人：Merck & Co., Inc.

  公开号：US06350760B1

  公开（公告）日：2002-02-26

  Certain novel substituted piperidine compounds are agonists of the human melanocortin receptor(s) and, in particular, are selective agonists of the human melanocortin-4 receptor (MC-4R). They are therefore useful for the treatment, control, or prevention of diseases and disorders responsive to the activation of MC-4R, such as obesity, diabetes, sexual dysfunction, including erectile dysfunction and female sexual dysfunction. Also provided are methods of treating sexual dysfunction with a compound that is a selective agonist of MC-4R over any other human melanocortin receptor.

  某些新型替代哌啶化合物是人类黑色素皮质素受体的激动剂，特别是人类黑色素皮质素-4受体（MC-4R）的选择性激动剂。因此，它们对于治疗、控制或预防对MC-4R激活敏感的疾病和紊乱是有用的，例如肥胖症、糖尿病、性功能障碍，包括勃起功能障碍和女性性功能障碍。还提供了使用对MC-4R具有选择性激动剂的化合物治疗性功能障碍的方法，而不是其他任何人类黑色素皮质素受体。
• [EN] MELANOCORTIN RECEPTOR MODULATORS, PROCESS FOR PREPARING THEM AND USE THEREOF IN HUMAN MEDICINE AND COSMETICS<br/>[FR] MODULATEURS DU RÉCEPTEUR DE MÉLANOCORTINE, LEUR PROCÉDÉ DE PRÉPARATION ET LEUR UTILISATION EN MÉDECINE HUMAINE ET EN COSMÉTIQUE
  申请人：GALDERMA RES & DEV

  公开号：WO2010052255A1

  公开（公告）日：2010-05-14

  The present invention relates to novel melanocortin receptor modulators corresponding to the general formula (I) to compositions containing them, to the process for preparing them and to their use in pharmaceutical or cosmetic compositions.

  本发明涉及与一般式（I）相对应的新型黑色素皮质素受体调节剂，以及含有它们的组合物，制备它们的方法以及它们在药用或化妆品组合物中的用途。
• [EN] MELANOCORTIN RECEPTOR AGONISTS<br/>[FR] AGONISTES DU RÉCEPTEUR DE LA MÉLANOCORTINE
  申请人：LG LIFE SCIENCES LTD

  公开号：WO2005047253A1

  公开（公告）日：2005-05-26

  The present invention relates a compound of formula 1, and pharmaceutically acceptable salt, hydrate, solvate, or isomer thereof effective as agonist of melanocortin receptor, and an agonistic composition of melanocortin receptor comprising the same as active ingredient.

  本发明涉及一种化合物1的公式，以及作为黑色素皮质素受体激动剂的药用盐、水合物、溶剂合物或同分异构体，以及包含该化合物作为活性成分的黑色素皮质素受体激动剂组合物。
• [EN] MELANOCORTIN RECEPTOR ANTAGONIST COMPOUNDS, PROCESS FOR PREPARING THEM AND USE THEREOF IN HUMAN MEDICINE AND COSMETICS<br/>[FR] COMPOSÉS ANTAGONISTES DU RÉCEPTEUR DE LA MÉLANOCORTINE, LEUR PROCÉDÉ DE PRÉPARATION ET LEUR UTILISATION EN MÉDECINE HUMAINE ET EN COSMÉTIQUE
  申请人：GALDERMA RES & DEV

  公开号：WO2010052256A1

  公开（公告）日：2010-05-14

  The present invention relates to novel melanocortin receptor antagonist compounds corresponding to the general formula (I) below, to compositions containing them, to the process for preparing them and to their use in pharmaceutical or cosmetic compositions.

  本发明涉及与下面的一般公式（I）对应的新型黑素皮质素受体拮抗剂化合物，以及含有它们的组合物，制备它们的方法以及它们在药用或化妆品组合物中的应用。
• WO2007/88181
  申请人：——

  公开号：——

  公开（公告）日：——