3-氨基-4-(甲胺基)苯甲酸乙酯 | 66315-23-9

• 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: 3-氨基-4-(甲胺基)苯甲酸乙酯
• 中文别名: 3-氨基-4-(甲基氨基)苯甲酸乙酯；3-氨基-4-甲胺基苯甲酸乙酯
• 英文名称: ethyl 3-amino-4-(methylamino)benzoate
• CAS: 66315-23-9
• 化学式: C₁₀H₁₄N₂O₂
• 分子量: 194.233
• InChiKey: ZPJHHBPBCFRECW-UHFFFAOYSA-N

物化性质

• 熔点：
  87 °C
• 沸点：
  357.4±32.0 °C(Predicted)
• 密度：
  1.173±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  64.4
• 氢给体数：
  2
• 氢受体数：
  4

安全信息

• 危险等级：
  IRRITANT
• 危险品标志：
  Xi
• 安全说明：
  S26,S37/39
• 危险类别码：
  R36/37/38
• 海关编码：
  2922499990
• 危险性防范说明：
  P261,P280,P305+P351+P338
• 危险性描述：
  H302+H312+H332,H315,H319,H335

SDS

Name:	Ethyl 3-amino-4-(methylamino)benzoate 97% Material Safety Data Sheet
Synonym:
CAS:	66315-23-9

Section 1 - Chemical Product MSDS Name:Ethyl 3-amino-4-(methylamino)benzoate 97% Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
66315-23-9	Ethyl 3-amino-4-(methylamino)benzoate	97%	unlisted

Hazard Symbols: XI
Risk Phrases: 36/37/38

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
Causes respiratory tract irritation. May be harmful if inhaled.
Chronic:
Not available.

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Section 4 - FIRST AID MEASURES
Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Get medical aid. Wash mouth out with water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
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 water spray, dry chemical, carbon dioxide, or chemical foam.

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Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container.

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Section 7 - HANDLING and STORAGE
Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

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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# 66315-23-9: 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: Solid
Color: Not available.
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 81 - 85 deg C
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: C10H14N2O2
Molecular Weight: 194.23

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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.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 66315-23-9 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Ethyl 3-amino-4-(methylamino)benzoate - 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
No information available.
IMO
No information available.
RID/ADR
No information available.

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 66315-23-9: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 66315-23-9 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 66315-23-9 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：

  3-氨基-4-(甲胺基)苯甲酸乙酯 在 lithium hydroxide 、 水 作用下， 以 1,4-二氧六环 为溶剂， 反应 28.0h， 生成 1-甲基-1H-苯并咪唑-5-羧酸
  参考文献：
  名称：

  WO2006/128670

  摘要：

  公开号：
• 作为产物：
  描述：

  4-甲基氨基-3-硝基苯甲酸乙酯 在 钯 碳 、 氢气 作用下， 以 甲醇 为溶剂， 反应 16.0h， 以to give the title compound (4.85 g, 82%) as a light-brown powder的产率得到3-氨基-4-(甲胺基)苯甲酸乙酯
  参考文献：
  名称：

  Heterocyclic compound and p27Kip1 degradation inhibitor

  摘要：

  提供了一种新的杂环化合物或其盐，用于选择性地抑制p27Kip1的降解。该化合物或其盐由以下式子(1)表示：其中，A表示烷基、环烷基、芳基或杂环基，基团A可以有取代基；环B表示5-至8-成员的单环杂环或含有单环杂环的紧缩环，环B可以有取代基；环C表示芳环，环C可以有取代基；L表示链连接物，包括由碳、氮、氧和硫原子中选择的3至5个原子构成的主链，其中主链中的至少一个原子是选择自氮、氧和硫原子的杂原子，链连接物L可以有取代基；n为0或1。

  公开号：

  US09200008B2

文献信息

• [EN] 1H-BENZ IMIDAZOLE-5-CARBOXAMIDES AS ANTI-INFLAMMATORY AGENTS<br/>[FR] 1H-BENZIMIDAZOLE-5-CARBOXAMIDES COMME AGENTS ANTI-INFLAMMATOIRES
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2010034796A1

  公开（公告）日：2010-04-01

  There are provided compounds of formula (I), wherein R1, R6, R8, Q2, Q3, Q3a, Q4, L and A have meanings given in the description, and pharmaceutically-acceptable salts thereof, which compounds are useful in the treatment of diseases in which inhibition of the activity of a member of the MAPEG family is desired and/or required, and particularly in the treatment of inflammation and/or cancer.

  提供了具有式（I）的化合物，其中R1、R6、R8、Q2、Q3、Q3a、Q4、L和A的含义如描述中所给，并且其药学上可接受的盐，这些化合物在治疗需要或期望抑制MAPEG家族成员活性的疾病方面是有用的，特别是在炎症和/或癌症的治疗中。
• HMOX1 inducers
  申请人：Mitobridge Inc.

  公开号：US10766888B1

  公开（公告）日：2020-09-08

  The present invention is related to compounds of structure (I) as heme oxygenase 1 (HMOX 1) inducers. The present invention is also related a method of controlling the activity or the amount, or both the activity and the amount, of heme-oxygenase 1 in a mammalian subject. The definitions of the variables are provided herein.

  本发明涉及结构（I）的化合物作为血红素氧合酶1（HMOX 1）诱导剂。本发明还涉及一种控制哺乳动物体内血红素氧合酶1的活性或数量，或活性和数量的方法。这里提供了变量的定义。
• [EN] PHENYLISOQUINOLINE AND PHENYLQUINAZOLINE DERIVATIVES FOR THE TREATMENT OF BONE DISEASES<br/>[FR] PHÉNYLISOQUINOLINE ET DÉRIVÉS DE PHÉNYLQUINAZOLINE DESTINÉS AU TRAITEMENT DE MALADIES OSSEUSES
  申请人：NOVARTIS AG

  公开号：WO2009027475A1

  公开（公告）日：2009-03-05

  The present invention relates to substituted phenylisoquinoline and phenylquinazoline derivatives and to their pharmaceutical uses in preventing or treating bone conditions which are associated with increased calcium depletion or resorption or in which stimulation of bone formation and calcium fixation in the bone is desirable.

  本发明涉及替代苯基异喹啉和苯基喹啉衍生物，以及它们在预防或治疗与钙流失或吸收增加有关的骨病症，或者在骨骼中骨形成和钙固定受到刺激是可取的情况下的药用。
• [EN] MODULATING FERROPTOSIS AND TREATING EXCITOTOXIC DISORDERS<br/>[FR] MODULATION DE LA FERROPTOSE ET TRAITEMENT DES TROUBLES EXCITOTOXIQUES
  申请人：UNIV COLUMBIA

  公开号：WO2015084749A1

  公开（公告）日：2015-06-11

  The present invention provides, inter alia, a compound having the structure of Formula (I). Also provided are compositions containing a pharmaceutically acceptable carrier and a compound according to the present invention. Further provided are methods for treating or ameliorating the effects of an excitotoxic disorder in a subject, methods of modulating ferroptosis in a subject, methods of reducing reactive oxygen species (ROS) in a cell, and methods for treating or ameliorating the effects of a neurodegenerative disease.

  本发明提供了一种具有式（I）结构的化合物。还提供了含有药用载体和根据本发明的化合物的组合物。此外还提供了用于治疗或改善受体内兴奋毒性障碍影响的方法，用于调节受体内铁死亡的方法，用于减少细胞内活性氧化物种（ROS）的方法，以及用于治疗或改善神经退行性疾病影响的方法。
• ORGANIC COMPOUNDS
  申请人：Sung Moo Je

  公开号：US20110046133A1

  公开（公告）日：2011-02-24

  The present invention provides compounds of the following structure; A-L1-B-C-D that are useful for treating or preventing conditions or disorders associated with DGAT1 activity in animals, particularly humans.

  本发明提供了以下结构的化合物；A-L1-B-C-D，这些化合物对于治疗或预防与动物（尤其是人类）中DGAT1活性相关的疾病或疾病非常有用。