4-氨基环己醇 | 6850-65-3

• 物质功能分类: 有机原料 - 氨基化合物 - 环烷胺、芳香单胺、芳香多胺及其衍生物和盐
• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 4-氨基环己醇
• 中文别名: 4-氨基环乙醇
• 英文名称: p-hydroxycyclohexylamine
• 英文别名: 4-AMINOCYCLOHEXANOL；4-aminocyclohexan-1-ol；p-aminocyclohexanol；trans-4-Aminocyclohexanol
• CAS: 6850-65-3
• 化学式: C₆H₁₃NO
• mdl: MFCD00042624
• 分子量: 115.175
• InChiKey: IMLXLGZJLAOKJN-UHFFFAOYSA-N

物化性质

• 熔点：
  64-65 °C
• 沸点：
  235-245 °C
• 密度：
  1.037±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  8
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  46.2
• 氢给体数：
  2
• 氢受体数：
  2

ADMET

代谢

cis-4-氨基环己醇是氨溴索的人类已知代谢物。

4-Aminocyclohexanol, cis- is a known human metabolite of ambroxol.

来源:NORMAN Suspect List Exchange

安全信息

• 危险类别码：
  R36/37/38
• 海关编码：
  2922199090
• 包装等级：
  III
• 危险类别：
  9
• 危险性防范说明：
  P264,P270,P271,P272,P280,P303+P361+P353,P304+P340,P305+P351+P338,P310,P330,P331,P363,P403+P233,P501
• 危险品运输编号：
  3077
• 危险性描述：
  H302,H314,H317,H410
• 储存条件：
  存储条件：2-8°C，避光保存，并置于惰性气体环境中。

SDS

Material Safety Data Sheet

---

Section 1. Identification of the substance
Product Name: 4-Aminocyclohexanol
Synonyms:

---

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

---

Section 3. Composition/information on ingredients.
Ingredient name: 4-Aminocyclohexanol
CAS number: 6850-65-3

---

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: C6H13NO
Molecular weight: 115.2

---

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-氨基环己醇 在 2,2,6,6-四甲基哌啶氧化物 、 氢溴酸 、 二异丁基氢化铝 、 三乙胺 、 sodium bromide 作用下， 以 二氯甲烷 、 乙酸乙酯 、 甲苯 为溶剂， 反应 19.5h， 生成 (±)-普拉克索
  参考文献：
  名称：

  一种盐酸普拉克索的制备方法

  摘要：

  本发明公开了一种盐酸普拉克索的制备方法，包括以下步骤：对氨基环己醇经丙酰氯缩合保护氨基得到对丙酰基环己醇，然后经催化氧化得到对丙酰基环己酮，再经氧化溴化和Hantzsch缩合得到2‑氨基‑6‑丙酰氨基‑4，5，6，7‑四氢苯并噻唑，再经二异丁基氢化铝还原得到2‑氨基‑6‑丙氨基‑4，5，6，7‑四氢苯并噻唑，最后经L‑(+)‑酒石酸拆分和成盐得盐酸普拉克索。本发明提出的一种盐酸普拉克索的制备方法，原料廉价易得，操作方便简单，路线新颖、绿色环保，收率高，制备得到的盐酸普拉克索纯度好。

  公开号：

  CN109232471B
• 作为产物：
  描述：

  4-羟基环己烷甲酸 在 4-二甲氨基吡啶 、 三甲基氯硅烷 、 iron(III)-acetylacetonate 、 1,2-双(二苯基膦基)苯 、 lithium chloride 、 N,N'-二异丙基碳二亚胺 、 锌 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 28.0h， 生成 4-氨基环己醇
  参考文献：
  名称：

  脱羧胺化：二氮丙啶作为单亲电和双亲电氮转移试剂

  摘要：

  含氮小分子在医学中无处不在，需要继续寻找改进的 CN 键形成方法。亲电胺化通常需要不同的试剂工具包，其选择取决于待胺化底物的特定结构和功能。此外，这些试剂中的许多都难以处理，会发生不需要的副反应，并且只能在狭窄的范围内发挥作用。在这里，我们报告了使用 diazirines 作为简单和复杂的氧化还原活性酯脱羧胺化的实用试剂。由此产生的二氮丙啶很容易在一个步骤中多样化为胺、肼和含氮杂环。该反应也已应用于全氟化二氮嗪的氟相合成。

  DOI：

  10.1021/jacs.0c09403
• 作为试剂：
  描述：

  3-甲氧基-4-硝基苯甲酰氯 、 4-氨基环己醇 在 4-氨基环己醇 作用下， 以98的产率得到
  参考文献：
  名称：

  Crystalline form of the free base N-[trans-4-[4-(cyclopropylmethyl)-1-piperazinyl]cyclohexyl]-4-[[(7r)-7-ethyl-5,6,7,8-tetrahydro-5-methyl-8-(1-methylethyl)-6-oxo-2-pteridinyl]amino]-3-methoxy-benzamide

  摘要：

  本发明涉及一种二氢喋啉衍生物的晶体形式，即自由碱N-[trans-4-[4-(环丙基甲基)-1-哌嗪基]环己基]-4-[[(7R)-7-乙基-5,6,7,8-四氢-5-甲基-8-(1-甲基乙基)-6-氧杂-2-喋啉基]氨基]-3-甲氧基苯甲酰胺的晶体形式，以及其制造方法和在制药组合物中的用途。

  公开号：

  US08329695B2

文献信息

• [EN] FUSED PYRAZOLE DERIVATIVES AS JAK INHIBITORS<br/>[FR] DÉRIVÉS DE PYRAZOLE CONDENSÉS UTILISÉS EN TANT QU'INHIBITEURS DE JAK
  申请人：ALMIRALL SA

  公开号：WO2017220431A1

  公开（公告）日：2017-12-28

  Novel fused pyrazole derivatives of Formula (I) are disclosed; as well as process for their preparation, pharmaceutical compositions comprising them and their use in therapy as inhibitors of Janus Kinases (JAK).

  公开了式（I）的新型融合吡唑衍生物；以及它们的制备方法，包含它们的药物组合物以及它们作为Janus激酶（JAK）抑制剂在治疗中的用途。
• IRAK DEGRADERS AND USES THEREOF
  申请人：Kymera Therapeutics, Inc.

  公开号：US20190192668A1

  公开（公告）日：2019-06-27

  The present invention provides compounds, compositions thereof, and methods of using the same.

  本发明提供了化合物、其组合物以及使用这些化合物的方法。
• [EN] 6H-THIENO`2, 3-B!PYRROLE DERIVATIVES AS ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE (GNRH)<br/>[FR] DERIVES DE 6H-THIENO`2,3-B!PYRROLE EN TANT QU'ANTAGONISTES DE LA GONADOLIBERINE (GNRH)
  申请人：ASTRAZENECA AB

  公开号：WO2004018480A1

  公开（公告）日：2004-03-04

  The invention relates to a group of novel thieno-pyrrole compounds of Formula (I): wherein: R1, R2, R3, R4 and R5 are as defined in the specification, which are useful as gonadotrophin releasing hormone antagonists. The invention also relates to pharmaceutical formulations of said compounds, methods of treatment using said compounds and to processes for the preparation of said compounds.

  这项发明涉及一组新型噻吩-吡咯烷化合物的化学式（I）：其中：R1、R2、R3、R4和R5如规范中定义，这些化合物可用作促性腺激素释放激素拮抗剂。该发明还涉及所述化合物的药物配方、使用所述化合物的治疗方法以及所述化合物的制备方法。
• [EN] METHODS AND COMPOUNDS FOR THE TREATMENT OF GENETIC DISEASE<br/>[FR] PROCÉDÉS ET COMPOSÉS POUR LE TRAITEMENT D'UNE MALADIE GÉNÉTIQUE
  申请人：DESIGN THERAPEUTICS INC

  公开号：WO2021158707A1

  公开（公告）日：2021-08-12

  The present disclosure relates to compounds and methods for modulating the expression of dmpk, and treating diseases and conditions in which dmpk plays an active role. The compound can be a transcription modulator molecule having a first terminus, a second terminus, and oligomeric backbone, wherein: a) the first terminus comprises a DNA-binding moiety capable of noncovalently binding to a nucleotide repeat sequence CAG or CTG; b) the second terminus comprises a protein-binding moiety binding to a regulatory molecule that modulates an expression of a gene comprising the nucleotide repeat sequence CAG or CTG; and c) the oligomeric backbone comprising a linker between the first terminus and the second terminus.

  本公开涉及化合物和方法，用于调节dmpk的表达，并治疗dmpk发挥积极作用的疾病和病况。该化合物可以是一种转录调节分子，具有第一末端、第二末端和寡聚骨架，其中：a）第一末端包括一种DNA结合基团，能够非共价结合到核苷酸重复序列CAG或CTG；b）第二末端包括结合到调节分子的蛋白结合基团，该调节分子调节包含核苷酸重复序列CAG或CTG的基因的表达；c）寡聚骨架包括连接第一末端和第二末端的连接物。
• KINASE MODULATORS FOR THE TREATMENT OF CANCER
  申请人：Synovo GmbH

  公开号：US20170313661A1

  公开（公告）日：2017-11-02

  A method of treating cancer in which a compound that inhibits the expression, production or release of IL-10 by immune cells is combined with a compound that stimulates the production of IL-12 when given in combination with, or in the presence of TNFa. Said method is effective when provided in addition to standard therapies, notably chemotherapy using cytotoxic drugs and other forms of immune therapy including therapeutic vaccines.

  一种治疗癌症的方法，其中抑制免疫细胞表达、产生或释放IL-10的化合物与在与TNFa联合给予或存在的情况下刺激IL-12产生的化合物结合。所述方法在提供标准疗法的基础上有效，特别是包括使用细胞毒性药物的化疗和其他形式的免疫疗法，包括治疗性疫苗。

表征谱图