2-氯-6-苯氧基苄胺 | 175136-89-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2-氯-6-苯氧基苄胺
• 英文名称: 2-chloro-6-phenoxybenzylamine
• 英文别名: 2-aminomethyl-3-chlorodiphenylether；(2-chloro-6-phenoxyphenyl)methanamine
• CAS: 175136-89-7
• 化学式: C₁₃H₁₂ClNO
• mdl: MFCD00052915
• 分子量: 233.697
• InChiKey: SNTOZVXKDWQFEW-UHFFFAOYSA-N

物化性质

• 沸点：
  147-149°C 1mm

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.076
• 拓扑面积：
  35.2
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 安全说明：
  S26,S36/37/39
• 危险类别码：
  R34,R36/37/38
• 海关编码：
  2922299090
• 危险品运输编号：
  UN 2735

SDS

Name:	2-Chloro-6-phenoxybenzylamine 95+% Material Safety Data Sheet
Synonym:	2-Aminomethyl-3-chlorodiphenylethe
CAS:	175136-89-7

Section 1 - Chemical Product MSDS Name:2-Chloro-6-phenoxybenzylamine 95+% Material Safety Data Sheet
Synonym:2-Aminomethyl-3-chlorodiphenylethe

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
175136-89-7	2-Chloro-6-phenoxybenzylamine	95+%	unlisted

Hazard Symbols: C
Risk Phrases: 34

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Causes burns.
Potential Health Effects
Eye:
Causes eye burns.
Skin:
Causes skin burns.
Ingestion:
Causes gastrointestinal tract burns.
Inhalation:
Causes chemical burns to the respiratory tract.
Chronic:
Not available.

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Section 4 - FIRST AID MEASURES
Eyes: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid immediately.
Skin:
Get medical aid immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Do not induce vomiting. Get medical aid immediately.
Inhalation:
Get medical aid immediately. Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen.
Notes to Physician:
Treat symptomatically and supportively.

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Section 5 - FIRE FIGHTING MEASURES
General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear.
Extinguishing Media:
Use foam, dry chemical, or carbon dioxide.

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Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container.

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Section 7 - HANDLING and STORAGE
Handling:
Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Use only in a chemical fume hood.
Storage:
Store in a cool, dry place. Store in a tightly closed container.
Corrosives area. Store under an inert atmosphere.

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 175136-89-7: Personal Protective Equipment Eyes: Not available.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Liquid
Color: pale yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 147 - 149 deg C @1mmHg
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C13H12ClNO
Molecular Weight: 234

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents, acids.
Hazardous Decomposition Products:
Hydrogen chloride, chlorine, nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 175136-89-7 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2-Chloro-6-phenoxybenzylamine - Not listed by ACGIH, IARC, or NTP.

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Section 12 - ECOLOGICAL INFORMATION

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Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

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Section 14 - TRANSPORT INFORMATION

IATA
Shipping Name: AMINES, LIQUID, CORROSIVE, N.O.S.*
Hazard Class: 8
UN Number: 2735
Packing Group: III
IMO
Shipping Name: AMINES, LIQUID, CORROSIVE, N.O.S.
Hazard Class: 8
UN Number: 2735
Packing Group: III
RID/ADR
Shipping Name: AMINES, LIQUID, CORROSIVE, N.O.S.
Hazard Class: 8
UN Number: 2735
Packing group: III

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: C
Risk Phrases:
R 34 Causes burns.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 175136-89-7: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 175136-89-7 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 175136-89-7 is not listed on the TSCA inventory.
It is for research and development use only.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  2-氯-6-苯氧基苄胺 在 ammonium hydroxide 、 氧气 作用下， 以 2-甲基-2-丁醇 为溶剂， 110.0 ℃ 、200.0 kPa 条件下， 反应 24.0h， 以92%的产率得到2-氯-6-苯氧基苯甲腈
  参考文献：
  名称：

  使用纳米级基于Co 3 O 4的催化剂通过可持续的需氧氧化从胺类合成腈†

  摘要：

  描述了在温和条件下胺的选择性氧化以良性合成腈的方法。该转化成功的关键是可重复使用的基于氧化钴的纳米催化剂的应用。所得腈构成有机合成中的关键前体和中心中间体。

  DOI：

  10.1039/c6ob00184j
• 作为产物：
  描述：

  2-氯-6-苯氧基苯甲腈 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 、 乙醚 为溶剂， 反应 24.0h， 生成 2-氯-6-苯氧基苄胺
  参考文献：
  名称：

  Dual inhibitors of LSD1 and spermine oxidase

  摘要：

  对LSD1和SMOX具有双重抑制活性，对N¹-乙酰多胺氧化酶（PAOX）无活性。

  DOI：

  10.1039/c8md00610e

文献信息

• Malonamid and malonamic ester derivatives with antithrombotic activity, their preparation and their use
  申请人：Aventis Pharma Deutschland GmbH

  公开号：EP1193248A1

  公开（公告）日：2002-04-03

  The present invention relates to compounds of the of the formula I, in which R1, R2, A and B have the meanings indicated in the claims. The compounds of the formula I are valuable pharmacologically active compounds. They exhibit a strong antithrombotic effect and are suitable, for example, for the therapy and prophylaxis of thromboembolic diseases and restenoses. They are reversible inhibitors of the blood clotting enzyme factor VIIa and can in general be applied in conditions in which an undesired activity of factor VIIa is present or for the cure or prevention of which an inhibition of factor VIIa is intended. The invention furthermore relates to processes for the preparation of compounds of the formula I, their use, in particular as active ingredients in pharmaceuticals, and pharmaceutical preparations comprising them.

  本发明涉及式I化合物的化合物，其中R1，R2，A和B具有权利要求中指出的含义。式I的化合物是有价值的药理活性化合物。它们展现出强大的抗血栓作用，并适用于例如治疗和预防血栓栓塞性疾病和再狭窄。它们是血液凝固酶因子VIIa的可逆抑制剂，通常可以应用于因子VIIa存在不需要活性或治疗或预防因子VIIa抑制的情况。本发明还涉及用于制备式I化合物的方法，其用途，尤其是作为药品中的活性成分，以及包含它们的药物制剂。
• Substituted &bgr;-alanines
  申请人：Aventis Pharma Limited

  公开号：US06352977B1

  公开（公告）日：2002-03-05

  The invention is directed to physiologically active compounds of general formula (I): wherein R1 is hydrogen, halogen, lower alkyl or lower alkoxy; X1, X2 and X6 independently represent N or CR2; and one of X3, X4 and X5 represents CR3 and the others independently represents N or CR2 where R2 is hydrogen, halogen, lower alkyl or lower alkoxy; and R3 represents a group —L1—(CH2)n—C(═O)—N(R4)—CH2—CH2—Y; and their prodrugs, and pharmaceutically acceptable salts and solvates of such compounds and their prodrugs. Such compounds have valuable pharmaceutical properties, in particular the ability to regulate the interaction of VCAM-1 and fibronectin with the integrin VLA-4 (&agr;4&bgr;1).

  该发明涉及一般式(I)的生理活性化合物： 其中R1是氢、卤素、较低的烷基或较低的烷氧基；X1、X2和X6独立地代表N或CR2；其中X3、X4和X5中的一个代表CR3，其他的独立地代表N或CR2，其中R2是氢、卤素、较低的烷基或较低的烷氧基；R3代表一个基团—L1—(CH2)n—C(═O)—N(R4)—CH2—CH2—Y；以及这些化合物及其前药的前药和药学上可接受的盐和溶剂。这些化合物具有有价值的药理特性，特别是调节VCAM-1和纤维连接蛋白与整合素VLA-4(&agr;4&bgr;1)相互作用的能力。
• Aza- and polyaza-naphthalenyl carboxamides useful as HIV integrase inhibitors
  申请人：——

  公开号：US20030055071A1

  公开（公告）日：2003-03-20

  Aza- and polyaza-naphthalenyl carboxamide derivatives including certain quinoline carboxamide and naphthyridine carboxamide derivatives are described. These compounds are inhibitors of HIV integrase and inhibitors of HIV replication, and are useful in the prevention or treatment of infection by HIV and the treatment of AIDS, as compounds or pharmaceutically acceptable salts, or as ingredients in pharmaceutical compositions, optionally in combination with other antivirals, immunomodulators, antibiotics or vaccines. Methods of preventing, treating or delaying the onset of AIDS and methods of preventing or treating infection by HIV are also described.

  描述了包括某些喹啉羧酰胺和萘啉羧酰胺衍生物在内的氮杂萘基羧酰胺衍生物。这些化合物是HIV整合酶的抑制剂和HIV复制的抑制剂，可用于预防或治疗HIV感染和治疗艾滋病，作为化合物或药学上可接受的盐，或作为药物组合物中的成分，可选择与其他抗病毒药物、免疫调节剂、抗生素或疫苗组合使用。还描述了预防、治疗或延缓艾滋病发作的方法，以及预防或治疗HIV感染的方法。
• SUBSTITUTED PTERIDINES FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS
  申请人：Herdewijn Piet André Maurits Maria

  公开号：US20090318456A1

  公开（公告）日：2009-12-24

  Tri-substituted pteridines and tetra-substituted pteridines exhibit a significant and selective activity against certain types of viral infections, in particular they selectively inhibit the replication of the hepatitis C virus, and are useful for the prevention and treatment of such infections.

  三取代喹啉和四取代喹啉对某些类型的病毒感染表现出显著和选择性的活性，特别是它们选择性地抑制丙型肝炎病毒的复制，并可用于预防和治疗此类感染。
• Heataryl-substituted guanidine compounds and use thereof as binding partners for 5-ht5-receptors
  申请人：Amberg Wilhelm

  公开号：US20100184787A1

  公开（公告）日：2010-07-22

  The invention relates to the hetaryl-substituted guanidine compounds of general formula (I), enantiomeres, diastereomeres and/or tautomeres thereof, in addition to the pharmaceutically acceptable salts thereof and the prodrugs of the known compounds. The invention also relates to the use of said hetaryl-substituted guanidine compounds as binding partners for 5-HT5-receptors for treating and/or for the prophylaxis of illnesses which are modulated by a 5-HT5-receptor activity, in particular, for treating and/or for the prophylaxis of neurodegenerative and neuropsychiatric disorders, and signs, symptoms and dysfunctions associated with said disorders.

  该发明涉及一般式(I)的杂环取代胍胺化合物，以及其对映体、非对映体和/或互变异构体，以及其药学上可接受的盐和已知化合物的前药。该发明还涉及将所述杂环取代胍胺化合物用作5-HT5受体的结合伙伴，用于治疗和/或预防由5-HT5受体活性调节的疾病，特别是用于治疗和/或预防神经退行性和神经精神障碍，以及与该类障碍相关的症状、体征和功能障碍。