1-环丙哌嗪二盐酸盐 | 139256-79-4

• 物质功能分类: 医药中间体 - 杂环化合物 - 哌嗪类化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 中文名称: 1-环丙哌嗪二盐酸盐
• 英文名称: 1-Cyclopropylpiperazine dihydrochloride
• 英文别名: 1-cyclopropylpiperazine;dihydrochloride
• CAS: 139256-79-4
• 化学式: C7H16Cl2N2
• mdl: MFCD00040810
• 分子量: 199.12
• InChiKey: JDJNSFSTSJWJFA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.12
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  15.3
• 氢给体数：
  3
• 氢受体数：
  2

安全信息

• 危险等级：
  8
• 危险品标志：
  Xi
• 海关编码：
  2933599090
• 危险性防范说明：
  P280,P305+P351+P338
• 危险性描述：
  H317,H319

SDS

Material Safety Data Sheet

---

Section 1. Identification of the substance
Product Name: 1-Cyclopropylpiperazine DiHCl
Synonyms:

---

Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.
H314: Causes severe skin burns and eye damage
H318: Causes serious eye damage
P260: Do not breathe dust/fume/gas/mist/vapours/spray
P303+P361+P353: IF ON SKIN (or hair): Remove/Take off immediately all contaminated clothing. Rinse skin with
water/shower
P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present
and easy to do – continue rinsing
P301+P330+P331: IF SWALLOWED: Rinse mouth. Do NOT induce vomiting
P405: Store locked up

---

Section 3. Composition/information on ingredients.
Ingredient name: 1-Cyclopropylpiperazine DiHCl
CAS number: 139256-79-4

---

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.
Storage: Store in closed vessels.

---

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
Not specified
Appearance:
Boiling point: No data
Melting point: No data
Flash point: No data
Density: No data
Molecular formula: C7H14N2.2ClH
Molecular weight: 199.1

---

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, hydrogen chloride.

---

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
UN Number: UN1759 Class: 8 Packing group: III
Proper shipping name: CORROSIVE SOLIDS, N.O.S. (1-Cyclopropylpiperazine DiHCl)

---

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

制备方法与用途

应用 环丙哌嗪二盐酸盐可用作医药合成中间体。

制备 将叔丁基哌嗪-1-羧酸酯（9.31 g，50 mmol）、[（1-乙氧基环丙基）氧基]三甲基硅烷（20.11 mL，100 mmol）和乙酸（14.31 mL，250 mmol）的四氢呋喃溶液（100 mL）在20℃下，用氰基硼氢化钠（4.71 g，75 mmol）处理甲醇（10 mL）。将所得溶液在60℃下搅拌18小时。冷却反应混合物，过滤并蒸发至干。加入1 N HCl（40 ml）和水（60 ml），溶液用乙酸乙酯（3×50 ml）萃取。用固体碳酸钾将水层碱化至pH 10，并用乙酸乙酯（4×50 ml）萃取。用饱和氯化钠溶液（50 ml）洗涤有机萃取物，用MgSO4干燥，过滤并蒸发至干，得到4-环丙基哌嗪-1-羧酸叔丁酯（7.73 g，68.3%），为白色蜡状固体。

1-环丙基哌嗪二盐酸盐：将4.0 M HCl的二恶烷溶液（42.7 mL，170.78 mmol）加入到搅拌的4-环丙基哌嗪-1-羧酸叔丁酯（7.73 g，34.16 mmol）的混合物中。随后加入甲醇（50.0 mL）和乙酸乙酯（200 mL）。将所得悬浮液在室温下在氮气下搅拌24小时。滤出白色固体，得到1-环丙基哌嗪二盐酸盐（6.30 g，93%）。

反应信息

• 作为反应物：
  描述：

  对醛基苯甲酸 、 1-环丙哌嗪二盐酸盐 在 对醛基苯甲酸 作用下， 以62的产率得到4-(4-cyclopropyl-piperazine-1-carbonyl)-benzaldehyde
  参考文献：
  名称：

  ACS Med. Chem. Lett. 2015, 6, 450-454

  摘要：

  DOI：
• 作为产物：
  描述：

  1-环丙基哌嗪-4-羧酸叔丁酯 以96的产率得到1-环丙哌嗪二盐酸盐
  参考文献：
  名称：

  ACS Med. Chem. Lett. 2015, 6, 450-454

  摘要：

  DOI：

文献信息

• NOVEL CYCLOPENTANE DERIVATIVES
  申请人：Banner David

  公开号：US20100317647A1

  公开（公告）日：2010-12-16

  The invention relates to a compound of formula (I) wherein A 1 and R 1 to R 5 are defined as in the description and in the claims. The compound of formula (I) can be used as a medicament.

  这项发明涉及一种化合物，其化学式为（I），其中A1和R1至R5的定义如描述和权利要求中所述。化合物的化学式（I）可用作药物。
• HETEROCYCLICALLY SUBSTITUTED ARYL COMPOUNDS AS HIF INHIBITORS
  申请人：Härter Michael

  公开号：US20130196964A1

  公开（公告）日：2013-08-01

  The present application relates to novel aryl compounds with heterocyclic substituents, processes for their preparation, their use for treatment and/or prevention of diseases and their use for the preparation of medicaments for treatment and/or prevention of diseases, in particular for treatment and/or prevention of hyperproliferative and angiogenic diseases and those diseases which arise from metabolic adaptation to hypoxic states. Such treatments can be carried out as monotherapy or also in combination with other medicaments or further therapeutic measures.

  本申请涉及具有杂环取代基的新型芳基化合物，其制备方法，它们用于治疗和/或预防疾病以及用于制备治疗和/或预防疾病的药物，特别是用于治疗和/或预防过度增殖和血管生成性疾病以及那些由于代谢适应缺氧状态而引起的疾病。这种治疗可以作为单独治疗进行，也可以与其他药物或进一步治疗措施结合使用。
• [EN] PYRROLIDINE DERIVATIVES USED AS CATHEPSIN INHIBITORS<br/>[FR] DÉRIVÉS DE PYRROLIDINE UTILISÉS EN TANT QU'INHIBITEUR DE CATHEPSINE
  申请人：HOFFMANN LA ROCHE

  公开号：WO2012059507A1

  公开（公告）日：2012-05-10

  The invention relates to a compound of formula (I), wherein A1 to A4 and R1 to R6 are defined as in the description and in the claims. The compound of formula (I) can be used as a medicament.

  本发明涉及式(I)的化合物，其中A1至A4和R1至R6的定义如描述和权利要求中所述。式(I)的化合物可以用作药物。
• NOVEL PYRROLIDINE DERIVATIVES
  申请人：Banner David

  公开号：US20120115843A1

  公开（公告）日：2012-05-10

  The invention relates to a compound of formula (I) wherein A 1 to A 4 and R 1 to R 6 are defined as in the description and in the claims. The compound of formula (I) can be used, for example, as inhibitors of the cysteine protease cathepsin.

  本发明涉及一种公式（I）的化合物 其中A1至A4和R1至R6定义如描述和权利要求中所述。公式（I）的化合物可用作例如半胱氨酸蛋白酶组织蛋白酶的抑制剂。
• [EN] TRIAZA-SPIRODECANONES AS DDR1 INHIBITORS<br/>[FR] TRIAZA-SPIRODÉCANONES UTILISÉES EN TANT QU'INHIBITEURS DE DDR1
  申请人：HOFFMANN LA ROCHE

  公开号：WO2017005583A1

  公开（公告）日：2017-01-12

  The present invention relates to compounds of formula (I) or pharmaceutically acceptable salts thereof, wherein L and R1 to R5 are as described herein, as well as processes for their manufacture, pharmaceutical compositions comprising them, and their use as medicaments.

  本发明涉及式(I)的化合物或其药用盐，其中L和R1至R5如本文所述，以及它们的制备方法、包含它们的药物组合物，以及它们作为药物的用途。