N,N-二甲基-3-氯丙胺 | 109-54-6

• 物质功能分类: 医药中间体
• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: N,N-二甲基-3-氯丙胺
• 中文别名: 二甲氨基丙基氯；3-氯-1-(N,N-二甲基)丙胺；3-氯-1-(N,N-二甲基)丙胺盐酸盐；3-(二甲氨基)氯丙烷；3-二甲氨基氯丙烷
• 英文名称: 3-(Dimethylamino)propyl chloride
• 英文别名: N,N-dimethyl-3-chloropropylamine；3-chloro-N,N-dimethylpropan-1-amine；3-chloro-N,N-dimethylpropylamine；dimethylaminopropyl chloride；N,N-dimethylaminochloropropane
• CAS: 109-54-6
• 化学式: C₅H₁₂ClN
• 分子量: 121.61
• InChiKey: NYYRRBOMNHUCLB-UHFFFAOYSA-N

物化性质

• 熔点：
  168℃
• 沸点：
  140 °C
• 密度：
  0.929
• 溶解度：
  氯仿（微溶）、甲醇（微溶）
• LogP：
  1.244 (est)
• 稳定性/保质期：

  盐酸盐为结晶状，熔点为142℃，具有吸湿性和刺激性。

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  7
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  3.2
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 危险等级：
  8
• 危险性防范说明：
  P422,P411,P280,P305+P351+P338
• 危险性描述：
  H317,H319
• 储存条件：
  2~8℃

SDS

Material Safety Data Sheet

---

Section 1. Identification of the substance
Product Name: 3-Chloro-1-(N,N-dimethyl)propylamine
Synonyms:

---

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

---

Section 3. Composition/information on ingredients.
Ingredient name: 3-Chloro-1-(N,N-dimethyl)propylamine
CAS number: 109-54-6

---

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, refrigerated.
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: C5H12ClN
Molecular weight: 121.6

---

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
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

制备方法与用途

化学性质：

• 液体。沸点为140℃，在2.4kPa压力下于33-35℃时沸腾，折光率为1.4502，并具有刺激性。
• 其盐酸盐为结晶状物质，熔点为142℃，吸湿性强，同样具备刺激性。

用途： 主要用于合成氯丙嗪、炎痛静、泰尔登、丙咪嗪、多虑平及阿米替丁的中间体。

生产方法： 可以通过两种途径制备：一是利用1,3-氯溴丙烷与二甲胺进行胺化反应；二是先让丙烯醇与二甲胺加成生成3-二甲氨基丙醇，再经氯化亚硫酰氯化得到目标产物。

反应信息

• 作为反应物：
  描述：

  N,N-二甲基-3-氯丙胺 在 铁粉 、 sodium amide 、 溶剂黄146 、 xylene 作用下， 生成 氯丙嗪
  参考文献：
  名称：

  Kano; Fujimoto, Pharmaceutical Bulletin, 1957, vol. 5, p. 393,396

  摘要：

  DOI：
• 作为产物：
  描述：

  N,N-Dimethylazetidinium-chlorid 生成 N,N-二甲基-3-氯丙胺
  参考文献：
  名称：

  Lapshin,N.M. et al., Journal of Organic Chemistry USSR (English Translation), 1970, vol. 6, # 10, p. 2035 - 2037

  摘要：

  DOI：
• 作为试剂：
  描述：

  2-mercaptomethyl-3-ethoxycarbonyl-5-methoxybenzofuran 在 potassium carbonate 、 N,N-二甲基-3-氯丙胺 、 potassium iodide 作用下， 以 丙酮 为溶剂， 反应 72.0h， 以36.45%的产率得到bis(2-methylene-3-ethoxycarbonyl-5-methoxybenzofuranyl) disulfide
  参考文献：
  名称：

  Sulfur-containing 5-hydroxybenzofuran derivatives and their biological activity

  摘要：

  DOI：

  10.1007/bf00764714

文献信息

• Blood–brain barrier permeable anticholinesterase aurones: Synthesis, structure–activity relationship, and drug-like properties
  作者：Kok-Fui Liew、Kit-Lam Chan、Chong-Yew Lee

  DOI：10.1016/j.ejmech.2015.02.055

  日期：2015.4

  A series of novel aurones bearing amine and carbamate functionalities at various positions (rings A and/or B) of the scaffold was synthesized and evaluated for their acetylcholinesterase and butyrylcholinesterase inhibitory activities. Structure–activity relationship study disclosed several potent submicromolar acetylcholinesterase inhibitors (AChEIs) particularly aurones bearing piperidine and pyrrolidine

  合成了一系列在支架的各个位置（环A和/或B）具有胺和氨基甲酸酯官能团的新型金氧烷，并对其乙酰胆碱酯酶和丁酰胆碱酯酶的抑制活性进行了评估。结构-活性关系研究揭示了几种有效的亚微摩尔乙酰胆碱酯酶抑制剂（AChEI），特别是在环A或环B上带有哌啶和吡咯烷部分的金黄色素。以三甲氧基金4 – 3为代表的金黄色。活性金黄色素表现出较低的丁酰胆碱酯酶抑制作用。3'-氯金龙6 – 3最初旨在提高支架的代谢稳定性的药物是该系列中最有效的药物。分子对接模拟显示，这些AChEI的光环在加利福尼亚鱼雷AChE（Tc AChE）的活性位点范围内采用有利的结合模式，包括6 – 3的氯与氯的非正常相互作用，从而建立了与Tc AChE疏水残基的附加键。使用PAMPA-BBB测定法和体外大鼠肝微粒体（RLM）评估强力金黄色素对血脑屏障（BBB）的通透性和代谢稳定性的影响，鉴定为4 – 3作为一种具有良好的被动BBB通透性和
• Npy antagonists, preparation and uses
  申请人：Botez Iuliana

  公开号：US20090233910A1

  公开（公告）日：2009-09-17

  The present invention concerns novel compounds, their preparation and their uses, therapeutic uses in particular. More specifically it concerns derivative compounds having at least two aromatic cycles, their preparation and their uses, in particular in the area of human or animal health. These compounds have an affinity for the biological receptors of neuropeptide Y, NPY, present in the central and peripheral nervous systems. The compounds of the invention are preferably NPY antagonists, and more particularly antagonists of sub-type NPY Y1, and can therefore be used for the therapeutic or prophylactic treatment of any disorder involving NPY. The present invention also concerns pharmaceutical compositions containing said compounds, their preparation and their uses, as well as treatment methods using said compounds.

  本发明涉及新颖化合物，它们的制备和用途，特别是在治疗方面的用途。更具体地说，它涉及至少具有两个芳香环的衍生化合物，它们的制备和用途，特别是在人类或动物健康领域。这些化合物对存在于中枢和外周神经系统中的神经肽Y（NPY）的生物受体具有亲和力。本发明的化合物优选为NPY拮抗剂，更具体地说是NPY Y1亚型的拮抗剂，因此可用于治疗或预防涉及NPY的任何疾病。本发明还涉及含有所述化合物的药物组合物，其制备和用途，以及使用所述化合物的治疗方法。
• [EN] 2-(1H-INDOLE-3-CARBONYL)-THIAZOLE-4-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS FOR THE TREATMENT OF E.G. ANGIOGENESIS IMPLICATED OR INFLAMMATORY DISORDERS<br/>[FR] DÉRIVÉS DE 2-(1H-INDOLE-3-CARBONYL)-THIAZOLE-4-CARBOXAMIDE ET COMPOSÉS CORRESPONDANTS UTILISÉS EN TANQUE QUE AGONISTES DU RÉCEPTEUR D'HYDROCARBURE ARYLE (AHR) UTILISÉS POUR LE TRAITEMENT DE, P.EX., DE L'ANGIOGENÈSE IMPLIQUÉE OU DE TROUBLES INFLAMMATOIRES
  申请人：IKENA ONCOLOGY INC

  公开号：WO2021127302A1

  公开（公告）日：2021-06-24

  2-(1H-lndole-3-carbonyl)-thiazole-4-carboxamide derivatives and the corresponding imidazole, oxazole and thiophene derivatives and related compounds as aryl hydrocarbon receptor (AHR) agonists for the treatment of angiogenesis implicated disorders, such as e.g. retinopathy, psoriasis, rheumatoid arthritis, obesity and cancer, or inflammatory disorders. The present description discloses the synthesis and characterisation of exemplary compounds as well as pharmacological data thereof (e.g. pages 27 to 32 and 59 to 219; examples 1 to 8; compounds 1-1 to 1-97; tables 1-a, 2 and 3).

  2-(1H-吲哚-3-甲酰基)-噻唑-4-羧酰胺衍生物及相应的咪唑、噁唑和噻吩衍生物以及相关化合物作为芳香烃受体（AHR）激动剂，用于治疗涉及血管生成的疾病，例如视网膜病变、银屑病、类风湿性关节炎、肥胖和癌症，或炎症性疾病。本说明书揭示了示例化合物的合成和表征以及其药理数据（例如第27至32页和59至219页；示例1至8；化合物1-1至1-97；表1-a、2和3）。
• 脲取代的芳环连二噁烷并喹唑啉或喹啉类化 合物、组合物及其应用
  申请人：北京赛特明强医药科技有限公司

  公开号：CN110862398B

  公开（公告）日：2021-04-06

  本发明涉及作为VEGFR‑2及CSF1R抑制剂的一类新化合物、组合物及其应用。具体地，本发明提供了一类具有强力抑制VEGFR‑2及CSF1R活性的化合物(如式(1)所示)或其异构体、溶剂化物、水合物、在药学上可接受的盐、前药，及包含所述化合物的药物组合物。本发明还公开了本发明化合物或药物组合物在制备药物中的应用，该药物用于治疗自身免疫疾病、肿瘤以及阿尔兹海默病等疾病。
• [EN] FUNCTIONALISED AND SUBSTITUTED INDOLES AS ANTI-CANCER AGENTS<br/>[FR] INDOLES FONCTIONNALISÉS ET SUBSTITUÉS UTILISÉS EN TANT QU'AGENTS ANTI-CANCÉREUX
  申请人：NOVOGEN LTD

  公开号：WO2015074124A1

  公开（公告）日：2015-05-28

  The present invention relates to anti-tropomyosin compounds, processes for their preparation, and methods for treating or preventing a proliferative disease, preferably cancer, using compounds of the invention.

  本发明涉及抗肌球蛋白化合物，其制备方法，以及利用本发明的化合物治疗或预防增殖性疾病，优选为癌症的方法。