1-(4-甲氧基苯基)环己胺 | 72934-40-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 1-(4-甲氧基苯基)环己胺
• 中文别名: 1-(4-甲氧基苯基)环丙胺；1-(4-甲氧基苯基)-环丙胺
• 英文名称: 1-(4-methoxyphenyl)cyclopropylamine
• 英文别名: 4-(1-Aminocyclopropyl)anisole；1-(4-Methoxyphenyl)cyclopropylamin；1-(4-Methoxyphenyl)cyclopropanamine；1-(4-methoxyphenyl)cyclopropan-1-amine
• CAS: 72934-40-8
• 化学式: C₁₀H₁₃NO
• mdl: MFCD07371529
• 分子量: 163.219
• InChiKey: ANCAJMAPVNINSB-UHFFFAOYSA-N

物化性质

• 沸点：
  133-135 °C(Press: 12 Torr)
• 密度：
  1.107±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  35.2
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2922299090

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 1-(4-methoxyphenyl)cyclopropan-1-amine
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: 1-(4-methoxyphenyl)cyclopropan-1-amine
CAS number: 72934-40-8

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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: C10H13NO
Molecular weight: 163.2

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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：

  1-(4-甲氧基苯基)环己胺 在 (1,5-cyclooctadiene)(methoxy)iridium(I) dimer 、 C₄₃H₄₆BN₃Si 作用下， 以 正己烷 、 甲苯 为溶剂， 反应 48.0h， 生成
  参考文献：
  名称：

  铱催化的对映选择性 C(sp3)-H 氨基环丙烷的硼化

  摘要：

  已经开发了通过铱催化实现的氨基环丙烷的简单酰亚胺定向分子间对映选择性C(sp 3 )-H 官能化的第一个例子。该反应通过六元金属环进行。该方法可以耐受广泛的官能团，提供大量具有高对映选择性（高达 99% ee ）的手性氨基环丙烷（36 个实例）。

  DOI：

  10.1002/anie.202201463
• 作为产物：
  描述：

  1-(4-甲氧基苯)-1-环丙羧酸 在 盐酸 、 sodium azide 、 三乙胺 、 氯甲酸甲酯 作用下， 以 四氢呋喃 、 甲苯 为溶剂， 反应 3.0h， 生成 1-(4-甲氧基苯基)环己胺
  参考文献：
  名称：

  [EN] COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF BROMODOMAIN-CONTAINING PROTEINS
  [FR] COMPOSÉS ET PROCÉDÉS POUR LA DÉGRADATION CIBLÉE DE PROTÉINES CONTENANT UN BROMODOMAINE

  摘要：

  本发明涉及双功能化合物，其作为靶向泛素化的调节剂具有实用性，特别是根据本发明抑制各种多肽和其他蛋白质的化合物。具体而言，本发明涉及一端含有结合泛素连接酶的VHL配体，另一端含有结合靶蛋白的基团的化合物，使得靶蛋白靠近泛素连接酶以促使该蛋白的降解（和抑制）。根据本发明的化合物表现出与靶向多肽的降解/抑制一致的广泛的药理活性。

  公开号：

  WO2017030814A1

文献信息

• [EN] MUSCARINIC ACETYLCHOLINE M1 RECEPTOR ANTAGONISTS<br/>[FR] ANTAGONISTES DES RÉCEPTEURS MUSCARINIQUES DE L'ACÉTYLCHOLINE M1
  申请人：PIPELINE THERAPEUTICS INC

  公开号：WO2021071843A1

  公开（公告）日：2021-04-15

  Provided herein, inter alia, are compounds which are useful as antagonists of the muscarinic acetylcholine receptor M1 (mAChR M1); synthetic methods for making the compounds; pharmaceutical compositions comprising the compounds; and methods of treating neurological and psychiatric disorders associated with muscarinic acetylcholine receptor dysfunction using the compounds and compositions.

  本文提供了一些化合物，这些化合物可用作胆碱能乙酰胆碱受体M1（mAChR M1）的拮抗剂；制备这些化合物的合成方法；包含这些化合物的药物组合物；以及使用这些化合物和组合物治疗与胆碱能乙酰胆碱受体功能障碍相关的神经和精神疾病的方法。
• A Direct Synthesis of 1-Aryl- and 1-Alkenylcyclopropylamines from Aryl and Alkenyl Nitriles
  作者：Philippe Bertus、Jan Szymoniak

  DOI：10.1021/jo034710+

  日期：2003.9.1

  The reaction of various aromatic nitriles with 1.1 equiv of Ti(Oi-Pr)(4) and 2.2 equiv of EtMgBr followed by addition of a Lewis acid gave 1-aryl cyclopropylamines in 43-76% yields. Under similar conditions, conjugated alkenenitriles afford 1-alkenylcyclopropylamines (42-65%).

  各种芳族腈与1.1当量的Ti（Oi-Pr）（4）和2.2当量的EtMgBr的反应，然后加入路易斯酸，以43-76％的收率得到1-芳基环丙胺。在类似条件下，共轭烯腈提供1-烯基环丙胺（42-65％）。
• [EN] INHIBITORS OF ARGINASE AND THEIR THERAPEUTIC APPLICATIONS<br/>[FR] INHIBITEURS D'ARGINASE ET LEURS APPLICATIONS THÉRAPEUTIQUES
  申请人：MARS INC

  公开号：WO2011133653A1

  公开（公告）日：2011-10-27

  Compounds according to Formula I and Formula II are potent inhibitors of Arginase I and II activity : Formule (I), (II) where R1, R2, R3, R4, R5, R6, R7, R8, R9, D, M, X, and Y are defined as set forth in the specification. The invention also provides pharmaceutical compositions of the compounds and methods of their use for treating or preventing a disease or a condition associated with arginase activity.

  根据式I和式II，化合物是Arginase I和II活性的强效抑制剂：式(I)，(II)中的R1、R2、R3、R4、R5、R6、R7、R8、R9、D、M、X和Y的定义如规范所述。该发明还提供了这些化合物的药物组合物以及它们用于治疗或预防与Arginase活性相关的疾病或病况的方法。
• 3-\x9b5-substituted benzyl)amino!-2-phenylpiperidines as substance P
  申请人：Pfizer Inc.

  公开号：US05789423A1

  公开（公告）日：1998-08-04

  This invention provides a compound of the formula: ##STR1## and its pharmaceutically acceptable salts, wherein R.sup.1 is C.sub.1 -C.sub.6 alkyl, C.sub.3 -C.sub.6 cycloalkyl, halo C.sub.1 -C.sub.6 alkyl or terahydropyranyl, having one or more substituents selected from cyano, 1,3-thiazolanyl, COOR.sup.2, COR.sup.2, OCOR.sup.2, CONR.sup.3 R.sup.4, NR.sup.3 R.sup.4, NR.sup.5 COR.sup.3 and C.ident.CR.sup.6, wherein R.sup.2 is hydrogen or C.sub.1 -C.sub.4 alkyl, R.sup.3 and R.sup.4 are independently hydrogen, C.sub.1 -C.sub.4 alkyl or C.sub.3 -C.sub.6 cycloalkyl, R.sup.5 is C.sub.1 -C.sub.4 alkyl or C.sub.3 -C.sub.6 cycloalkyl and R.sup.6 is hydrogen, halo, cyano, C.sub.1 -C.sub.6 alkyl, COOH, COO(C.sub.1 -C.sub.4 alkyl) or phenyl; X is C.sub.1 -C.sub.6 alkoxy or halo C.sub.1 -C.sub.6 alkoxy; and Ar is phenyl optionally substituted with halo. These compounds are useful in the treatment of allergic disorders, angiogenesis, gastrointestinal disorders, central nervous system disorders, inflammatory diseases, emesis, urinary incontinence, pain, migraine, sunburn, and diseases, disorders and adverse conditions caused by Helicobacter pylori, in a mammalian subject.

  本发明提供了一个化合物的公式：##STR1##及其药学上可接受的盐，其中R.sup.1是C.sub.1-C.sub.6烷基，C.sub.3-C.sub.6环烷基，卤C.sub.1-C.sub.6烷基或四氢吡喃基，具有来自氰基，1,3-噻唑基，COOR.sup.2，COR.sup.2，OCOR.sup.2，CONR.sup.3R.sup.4，NR.sup.3R.sup.4，NR.sup.5COR.sup.3和C.ident.CR.sup.6的一个或多个取代基，其中R.sup.2是氢或C.sub.1-C.sub.4烷基，R.sup.3和R.sup.4独立地是氢，C.sub.1-C.sub.4烷基或C.sub.3-C.sub.6环烷基，R.sup.5是C.sub.1-C.sub.4烷基或C.sub.3-C.sub.6环烷基，而R.sup.6是氢，卤，氰，C.sub.1-C.sub.6烷基，COOH，COO（C.sub.1-C.sub.4烷基）或苯基；X是C.sub.1-C.sub.6烷氧基或卤C.sub.1-C.sub.6烷氧基；Ar是苯基，可选地取代卤基。这些化合物在哺乳动物主体中治疗过敏性疾病，血管生成，胃肠道疾病，中枢神经系统疾病，炎症性疾病，呕吐，尿失禁，疼痛，偏头痛，晒伤以及由幽门螺杆菌引起的疾病，疾病和不良情况中有用。
• Substituted acid derivatives useful as antidiabetic and antiobesity agents and method
  申请人：Cheng T. Peter

  公开号：US20070015797A1

  公开（公告）日：2007-01-18

  Compounds are provided which have the structure wherein Q is C or N, A is O or S, Z is O or a bond, X is CH or N and R 1 , R 2 , R 2a , R 2b , R 2c , R 3 , Y, x, m, and n are as defined herein, which compounds are useful as antidiabetic, hypolipidemic, and antiobesity agents.

  提供了一些化合物，它们的结构如下：其中Q为C或N，A为O或S，Z为O或键，X为CH或N，R1、R2、R2a、R2b、R2c、R3、Y、x、m和n如此定义，这些化合物可用作抗糖尿病、降脂和抗肥胖药物。