N-羟基-4-丙氧基-苯甲酰胺 | 145259-49-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: N-羟基-4-丙氧基-苯甲酰胺
• 英文名称: N-hydroxy-4-propoxybenzamidine
• 英文别名: N-hydroxy-4-propoxybenzimidamide；N'-hydroxy-4-propoxybenzenecarboximidamide
• CAS: 145259-49-0
• 化学式: C₁₀H₁₄N₂O₂
• 分子量: 194.233
• InChiKey: OOCDAYWHISVQPO-UHFFFAOYSA-N

物化性质

• 熔点：
  105 °C

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 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：
  67.8
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 海关编码：
  2925290090

SDS

Name:	N -Hydroxy-4-propoxybenzenecarboximidamide Material Safety Data Sheet
Synonym:	None Known
CAS:	145259-49-0

Section 1 - Chemical Product MSDS Name:N -Hydroxy-4-propoxybenzenecarboximidamide Material Safety Data Sheet
Synonym:None Known

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
145259-49-0	N'-Hydroxy-4-propoxybenzenecarboximida	95+	unlisted

Hazard Symbols: XN
Risk Phrases: 20/21/22 36/37/38

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Harmful by inhalation, in contact with skin and if swallowed.
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation. May cause chemical conjunctivitis.
Skin:
Causes skin irritation. Harmful if absorbed through the skin.
Ingestion:
Harmful if swallowed. May cause irritation of the digestive tract.
Inhalation:
Harmful if inhaled. Causes respiratory tract irritation.
Chronic:
No information found.

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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.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
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. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions.
Provide ventilation.

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Section 7 - HANDLING and STORAGE
Handling:
Minimize dust generation and accumulation. Avoid breathing dust, vapor, mist, or gas. Avoid contact with eyes, skin, and clothing.
Keep container tightly closed. Use with adequate ventilation. Wash clothing before reuse.
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# 145259-49-0: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
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: white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 105-106 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: 194.24

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions.
Conditions to Avoid:
Dust generation.
Incompatibilities with Other Materials:
Oxidizing agents, acids, acid chlorides.
Hazardous Decomposition Products:
Carbon monoxide, oxides of nitrogen, carbon dioxide.
Hazardous Polymerization: Will not occur.

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 145259-49-0 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
N'-Hydroxy-4-propoxybenzenecarboximidamide - 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: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing Group: III
IMO
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing Group: III
RID/ADR
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing group: III

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XN
Risk Phrases:
R 20/21/22 Harmful by inhalation, in contact with
skin and if swallowed.
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 22 Do not breathe dust.
S 24/25 Avoid contact with skin and eyes.
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.
WGK (Water Danger/Protection)
CAS# 145259-49-0: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 145259-49-0 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 145259-49-0 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：

  N-羟基-4-丙氧基-苯甲酰胺 在 氯化亚砜 作用下， 以 N-甲基吡咯烷酮 、 甲苯 为溶剂， 20.0~60.0 ℃ 、10.0 MPa 条件下， 反应 8.17h， 生成
  参考文献：
  名称：

  一种具有抗氧化作用的噁二唑类化合物及其制备方法

  摘要：

  本发明公开了一种具有抗氧化作用的噁二唑类化合物及其制备方法，属于功能有机分子的合成技术领域。本发明的技术方案要点为：该噁二唑类化合物具有结构本发明通过新的C‑N偶联方法把具有抗氧化作用的噁二唑化合物和环丁烯酮化合物连接起来，得到了结构新型的胺类化合物，并通过DPPH法进行抗氧化检测发现目标化合物具有良好的抗氧化作用，进而该化合物有望能够应用到聚烯烃材料材料合成等领域，作为抑制聚烯烃材料发生氧化降解的氧化剂。

  公开号：

  CN109776443B
• 作为产物：
  描述：

  4-丙氧基苯甲腈 在 4-二甲氨基吡啶 、 盐酸羟胺 、 copper hydroxide 、 potassium hydroxide 作用下， 以 甲醇 为溶剂， 50.0 ℃ 、8.0 MPa 条件下， 反应 5.0h， 以14.2 g的产率得到N-羟基-4-丙氧基-苯甲酰胺
  参考文献：
  名称：

  一种具有抗氧化作用的噁二唑类化合物及其制备方法

  摘要：

  本发明公开了一种具有抗氧化作用的噁二唑类化合物及其制备方法，属于功能有机分子的合成技术领域。本发明的技术方案要点为：该噁二唑类化合物具有结构本发明通过新的C‑N偶联方法把具有抗氧化作用的噁二唑化合物和环丁烯酮化合物连接起来，得到了结构新型的胺类化合物，并通过DPPH法进行抗氧化检测发现目标化合物具有良好的抗氧化作用，进而该化合物有望能够应用到聚烯烃材料材料合成等领域，作为抑制聚烯烃材料发生氧化降解的氧化剂。

  公开号：

  CN109776443B

文献信息

• [EN] CARBOXY DERIVATIVES WITH ANTIINFLAMMATORY PROPERTIES<br/>[FR] DÉRIVÉS CARBOXY PRÉSENTANT DES PROPRIÉTÉS ANTI-INFLAMMATOIRES
  申请人：SITRYX THERAPEUTICS LTD

  公开号：WO2021130492A1

  公开（公告）日：2021-07-01

  The invention relates to compounds of formula (I) and to their use in treating or preventing an inflammatory disease or a disease associated with an undesirable immune response: (I) wherein, RA1, RA2, RC and RD are as defined herein.

  这项发明涉及式(I)的化合物及其在治疗或预防炎症性疾病或与不良免疫反应相关的疾病中的应用：(I)其中，RA1、RA2、RC和RD如本文所定义。
• AMINO-PYRIDINE DERIVATIVES AS S1P1 /EDG1 RECEPTOR AGONISTS
  申请人：Bolli Martin

  公开号：US20100087417A1

  公开（公告）日：2010-04-08

  The invention relates to novel amino-pyridine derivatives, their preparation and their use as pharmaceutically active compounds. Said compounds particularly act as immunomodulating agents.

  该发明涉及新型氨基吡啶衍生物，其制备以及它们作为药用活性化合物的用途。这些化合物特别作为免疫调节剂。
• Amino-pyridine derivatives as S1P1 /EDG1 receptor agonists
  申请人：Bolli Martin

  公开号：US08592460B2

  公开（公告）日：2013-11-26

  The invention relates to novel amino-pyridine derivatives, their preparation and their use as pharmaceutically active compounds. Said compounds particularly act as immunomodulating agents.

  本发明涉及新型氨基吡啶衍生物，其制备以及其用作药物活性化合物。这些化合物特别作为免疫调节剂。
• Compounds for the treatment of Clostridium difficile infection
  申请人：University of Notre Dame du Lac

  公开号：US11168062B2

  公开（公告）日：2021-11-09

  Clostridium difficile infection (CDI) is a public health threat that results in 14,000 annual deaths in the United States. Challenges involve the production of CDI spores that can remain dormant for years and the production of toxins that damage the gut. Current therapies for CDI include vancomycin and metronidazole, but neither inhibits spore or toxin production. Thus, recurrence of infection occurs in 25% of patients and there are no antibiotics that are effective for multiple recurrences. We describe oxadiazoles with activity against C. difficile, including the highly virulent NAP1/027 strain with increased production of toxins A and B, as well as the additional binary toxin. Oxadiazole 2 is poorly absorbed, thus advantageously achieving high concentrations in the gut. The compound targets peptidoglycan synthesis and inhibits vegetative cells, spores, and toxin production.

  艰难梭菌感染（CDI）是一种公共卫生威胁，在美国每年造成 14,000 人死亡。其挑战在于 CDI 孢子的产生，这种孢子可保持休眠状态数年之久，并产生损害肠道的毒素。目前治疗 CDI 的药物包括万古霉素和甲硝唑，但这两种药物都不能抑制孢子或毒素的产生。因此，25% 的患者会出现感染复发，而目前还没有对多次复发有效的抗生素。我们介绍了对艰难梭菌具有活性的噁二唑类药物，包括毒性极强的 NAP1/027 菌株，其毒素 A 和毒素 B 以及额外的二元毒素的产量均有所增加。噁二唑 2 的吸收性很差，因此在肠道中具有高浓度的优势。该化合物靶向肽聚糖合成，抑制无性细胞、孢子和毒素的产生。
• 1,2,4-Oxadiazole derivatives having monoamine oxidase B enzyme-inhibitory activity and method for preparing same
  申请人：Wakamoto Pharmaceutical Co., Ltd.

  公开号：EP0504574B1

  公开（公告）日：1996-02-28