4-甲酰胺基吡喃 | 344329-76-6

• 物质功能分类: 医药中间体 - 吡喃类化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氧烷类
• 中文名称: 4-甲酰胺基吡喃
• 中文别名: 四氢-2H-吡喃-4-甲酰胺；3,4,5,6-四氢吡喃-4-甲酰胺；4-氨甲酰基四氢吡喃；四氢吡喃-4-甲酰胺
• 英文名称: tetrahydro-pyran-4-carboxylic acid amide
• 英文别名: tetrahydro-2H-pyran-4-carboxamide；tetrahydropyran-4-carboxamide；oxane-4-carboxamide
• CAS: 344329-76-6
• 化学式: C₆H₁₁NO₂
• mdl: MFCD08235066
• 分子量: 129.159
• InChiKey: DGOYLVBDCVINQZ-UHFFFAOYSA-N

物化性质

• 熔点：
  181-183
• 沸点：
  312.1±31.0 °C(Predicted)
• 密度：
  1.114

计算性质

• 辛醇/水分配系数(LogP)：
  -0.6
• 重原子数：
  9
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.833
• 拓扑面积：
  52.3
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 危险等级：
  IRRITANT
• 危险品标志：
  Xi,Xn
• 安全说明：
  S24/25,S36/37
• 危险类别码：
  R22,R20/21/22
• 海关编码：
  29339900
• 危险性防范说明：
  P280,P305+P351+P338
• 危险性描述：
  H302
• 储存条件：
  请保持冷静。

SDS

Material Safety Data Sheet

---

Section 1. Identification of the substance
Product Name: 4-Carbamoyltetrahydropyran
Synonyms: Tetrahydro-2H-pyran-4-carboxamide

---

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

---

Section 3. Composition/information on ingredients.
Ingredient name: 4-Carbamoyltetrahydropyran
CAS number: 344329-76-6

---

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.

---

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.

---

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.

---

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:

---

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.

---

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: C6H11NO2
Molecular weight: 129.2

---

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.

---

Section 11. Toxicological information
No data.

---

Section 12. Ecological information
No data.

---

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.

---

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

---

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.

---

SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  4-甲酰胺基吡喃 在 lithium aluminium tetrahydride 、 sodium hydroxide 、 水 作用下， 以 四氢呋喃 为溶剂， 反应 32.0h， 生成 4-氨甲基四氢吡喃
  参考文献：
  名称：

  [EN] CB1 MODULATOR COMPOUNDS
  [FR] COMPOSES MODULATEURS DE CB1

  摘要：

  结构式（I）的新化合物已被披露。作为大麻素-1（CB1）受体的调节剂，这些化合物在治疗、预防和抑制由CB1受体介导的疾病方面是有用的。因此，本发明的化合物在治疗、预防和抑制精神病、记忆缺陷、认知障碍、偏头痛、神经病、神经炎性疾病（例如多发性硬化症、吉兰-巴雷综合征和病毒性脑炎的炎症后遗症）、脑血管意外、头部创伤、焦虑症、压力、癫痫、帕金森病和精神分裂症方面是有用的。这些化合物还可用于治疗物质滥用障碍，特别是对阿片类药物、酒精和尼古丁的治疗。这些化合物还可用于治疗与过度食物摄入及相关并发症相关的肥胖症或进食障碍。

  公开号：

  WO2005066126A1
• 作为产物：
  描述：

  4-氰基四氢吡喃 在 sodium hydroxide 作用下， 以 水 为溶剂， 生成 4-甲酰胺基吡喃
  参考文献：
  名称：

  4-氨基四氢吡喃的一锅法合成工艺

  摘要：

  本发明公开了一种4-氨基四氢吡喃的一锅法合成工艺，以4-氰基四氢吡喃、氢氧化钠溶液（或氢氧化钾溶液）为原料合成4-甲酰胺四氢吡喃，再往4-甲酰胺四氢吡喃中缓慢加入次氯酸钠溶液（或次溴酸钠溶液），随后加热升温至回流，脱羧生成产物4-氨基四氢吡喃。将所有反应原料放在一锅中反应，通过选择合适的反应条件，合成4-氨基四氢吡喃，选择性高，杂质少，中间产物不用分离，收率高，实用价值高。

  公开号：

  CN102993144B
• 作为试剂：
  描述：

  四氢吡喃-4-羧酸甲酯 、 氨 在 氨 、 乙醇 、 4-甲酰胺基吡喃 作用下， 反应 18.0h， 生成 4-甲酰胺基吡喃
  参考文献：
  名称：

  Thiazolylphenyl-benzenesulfonamido derivatives as kinase inhibitors

  摘要：

  本发明公开了式（I）中定义的噻唑基苯基磺酰胺衍生物及其药学上可接受的盐，以及其制备方法和包含它们的制药组合物；本发明中的化合物可能有用于治疗与蛋白激酶活性失调有关的疾病，如癌症。

  公开号：

  US09199979B2

文献信息

• Benzene Sulfonamide Thiazole and Oxazole Compounds
  申请人：Adams Jerry Leroy

  公开号：US20090298815A1

  公开（公告）日：2009-12-03

  The present invention provides thiazole sulfonamide and oxazole sulfonamide compounds, compositions containing the same, as well as processes for the preparation and methods for their use as pharmaceutical agents.

  本发明提供了噻唑磺胺和噁唑磺胺化合物，含有这些化合物的组合物，以及用作药物制剂的制备方法和使用方法。
• [EN] BIARYLAMIDE INHIBITORS OF LEUKOTRIENE PRODUCTION<br/>[FR] INHIBITEURS BIARYLAMIDE DE PRODUCTION DE LEUKOTRIÈNES
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2012082817A1

  公开（公告）日：2012-06-21

  The present invention relates to compounds of formula (I): and pharmaceutically acceptable salts thereof, wherein A, B, C, R1a, R1b, R2, R3, R4a and R4b are as defined herein. The invention also relates to pharmaceutical compositions comprising these compounds, methods of using these compounds in the treatment of various diseases and disorders, processes for preparing these compounds and intermediates useful in these processes.

  本发明涉及式(I)的化合物及其药学上可接受的盐，其中A、B、C、R1a、R1b、R2、R3、R4a和R4b如本文所定义。该发明还涉及包含这些化合物的药物组合物，使用这些化合物治疗各种疾病和疾病的方法，制备这些化合物的方法以及在这些过程中有用的中间体。
• [EN] THERAPEUTIC COMPOUNDS: PYRIDINE AS SCAFFOLD<br/>[FR] COMPOSES THERAPEUTIQUES DANS LESQUELS LA PYRIDINE EST UTILISEE COMME SQUELETTE
  申请人：ASTRAZENECA AB

  公开号：WO2005115986A1

  公开（公告）日：2005-12-08

  Compounds of formulas I, IA, and IB or IC or pharmaceutically acceptable salts thereof: wherein A, A1, A2, A3, A4, R2, R3, R4 and n are as defined in the specifications well as salts and pharmaceutical compositions including the compounds are prepared. They are useful in therapy, in particular in the management of pain.

  其中A、A1、A2、A3、A4、R2、R3、R4和n的化合物的公式I、IA和IB或IC或其药学上可接受的盐：其中A、A1、A2、A3、A4、R2、R3、R4和n的定义如规范中所述，以及包括这些化合物的盐和药物组合物已经准备好。它们在治疗中很有用，特别是在疼痛管理中。
• [EN] CARBOCYCLIC SULFONE RORγ MODULATORS<br/>[FR] COMPOSÉS SULFONE CARBOCYCLIQUE SERVANT DE MODULATEURS DE RORΓ
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2015103508A1

  公开（公告）日：2015-07-09

  Described are RORγ modulators of the formula (I), or stereoisomers, tautomers, pharmaceutically acceptable salts, solvates, or prodrugs thereof, wherein all substituents are defined herein. Also provided are pharmaceutical compositions comprising the same. Such compounds and compositions are useful in methods for modulating RORγ activity in a cell and methods for treating a subject suffering from a disease or disorder in which the subject would therapeutically benefit from modulation of RORγ activity, for example, autoimmune and/or inflammatory disorders.

  描述了公式（I）的RORγ调节剂，或其立体异构体、互变异构体、药学上可接受的盐、溶剂化物或前药，其中所有取代基在此处定义。还提供了包含这些化合物的药物组合物。这些化合物和组合物在调节细胞中的RORγ活性的方法以及治疗患有疾病或紊乱的受试者的方法中是有用的，其中受试者在调节RORγ活性方面会从中获益，例如自身免疫和/或炎症性疾病。
• Oxazole derivatives useful as modulators of FAAH
  申请人：Yang ZhiQiang

  公开号：US09193697B2

  公开（公告）日：2015-11-24

  The present invention is directed to certain Oxazole derivatives which are useful as modulators of Fatty Acid Amide Hydrolase (FAAH) and as FAAH imaging agents. The invention is also concerned with pharmaceutical formulations comprising these compounds as active ingredients and the use of the compounds and their formulations in the treatment of certain disorders, including osteoarthritis, rheumatoid arthritis, diabetic neuropathy, postherpetic neuralgia, skeletomuscular pain, and fibromyalgia, as well as acute pain, migraine, sleep disorder, Alzheimer Disease, and Parkinson's Disease.

  本发明涉及某些噁唑衍生物，其可用作脂肪酸酰胺水解酶（FAAH）的调节剂和FAAH成像剂。该发明还涉及包含这些化合物作为活性成分的药物配方，以及这些化合物及其配方在治疗某些疾病中的使用，包括骨关节炎、类风湿性关节炎、糖尿病性神经病、带状疱疹后神经痛、骨骼肌肉疼痛和纤维肌痛，以及急性疼痛、偏头痛、睡眠障碍、阿尔茨海默病和帕金森病。