间-β-羟乙基砜苯胺 | 5246-57-1

• 物质功能分类: 有机原料 - 氨基化合物
• 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: 间-β-羟乙基砜苯胺
• 中文别名: 2-[(3-氨基苯基)磺酰]乙醇；氨基油；2-[(3-氨基苯基)磺酰基)乙醇；间-(β-羟乙基砜)苯胺
• 英文名称: 3-(β-hydroxyethylsulfone)aniline
• 英文别名: 3-(β-hydroxyethylsulfonyl)aniline；3-aminophenyl 2-hydroxy-ethyl sulphone；Ethanol, 2-[(3-aminophenyl)sulfonyl]-；2-(3-aminophenyl)sulfonylethanol
• CAS: 5246-57-1
• 化学式: C₈H₁₁NO₃S
• 分子量: 201.246
• InChiKey: ASASRSMRAPYLQI-UHFFFAOYSA-N

物化性质

• 熔点：
  74-75 °C(Solv: chloroform (67-66-3))
• 沸点：
  487.7±45.0 °C(Predicted)
• 密度：
  1.364±0.06 g/cm3(Predicted)
• 溶解度：
  溶于甲醇
• LogP：
  -0.096 at 32℃ and pH5.35

计算性质

• 辛醇/水分配系数(LogP)：
  -0.4
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  88.8
• 氢给体数：
  2
• 氢受体数：
  4

安全信息

• 海关编码：
  2922199090
• 储存条件：
  存放于惰性气体中，避免与空气接触。

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: M-Beta-hydroxyethylsulfonyl aniline
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: M-Beta-hydroxyethylsulfonyl aniline
CAS number: 5246-57-1

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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: C8H11NO3S
Molecular weight: 201.2

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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, sulfur 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

制备方法与用途

用途
用于合成乙烯基砜染料和乙烯砜染料

反应信息

• 作为反应物：
  描述：

  间-β-羟乙基砜苯胺 在 硫酸 作用下， 生成 间-β-羟乙基砜硫酸酯苯胺
  参考文献：
  名称：

  一种高收率、低磺化剂耗量的间位酯氯磺化合成方法

  摘要：

  本申请涉及间位酯合成技术领域，具体公开了一种高收率、低磺化剂耗量的间位酯氯磺化合成方法。一种高收率、低磺化剂耗量的间位酯氯磺化合成方法，包括如下步骤：S1：以硝基苯与氯磺酸为原料，在加入促进剂后通过氯磺化反应得到间硝基苯磺酰氯；S2：采用焦亚硫酸钠对所述间硝基苯磺酰氯进行还原，反应完成后加入氯化钠，盐析得到还原产物；S3：在所述还原产物中加入环氧乙烷和磷酸钠，反应得到缩合产物；S4：使用铁粉对所述缩合产物进行还原；反应完毕后加入硫酸，通过酯化反应合成间位酯成品。本申请的高收率、低磺化剂耗量的间位酯氯磺化合成方法可用于染料中间体间位酯的合成，其具有收率高、低磺化剂消耗的优点。

  公开号：

  CN115197107A
• 作为产物：
  描述：

  2-(3-硝基苯磺酰基)乙醇 在 铁粉 、 溶剂黄146 作用下， 以 水 为溶剂， 生成 间-β-羟乙基砜苯胺
  参考文献：
  名称：

  一种高收率、低磺化剂耗量的间位酯氯磺化合成方法

  摘要：

  本申请涉及间位酯合成技术领域，具体公开了一种高收率、低磺化剂耗量的间位酯氯磺化合成方法。一种高收率、低磺化剂耗量的间位酯氯磺化合成方法，包括如下步骤：S1：以硝基苯与氯磺酸为原料，在加入促进剂后通过氯磺化反应得到间硝基苯磺酰氯；S2：采用焦亚硫酸钠对所述间硝基苯磺酰氯进行还原，反应完成后加入氯化钠，盐析得到还原产物；S3：在所述还原产物中加入环氧乙烷和磷酸钠，反应得到缩合产物；S4：使用铁粉对所述缩合产物进行还原；反应完毕后加入硫酸，通过酯化反应合成间位酯成品。本申请的高收率、低磺化剂耗量的间位酯氯磺化合成方法可用于染料中间体间位酯的合成，其具有收率高、低磺化剂消耗的优点。

  公开号：

  CN115197107A

文献信息

• Pteridinone derivatives as PI3-kinases inhibitors
  申请人：Boehringer Ingelheim Pharma GmbH & Co. KG

  公开号：EP1953163A1

  公开（公告）日：2008-08-06

  New compounds of formula 1 are provided which by virtue of their pharmaceutical activity as PI3-kinase modulators may be used in the therapeutic field for the treatment of inflammatory or allergic diseases. Examples of these include inflammatory and allergic respiratory complaints, inflammatory diseases of the gastro-intestinal tract and motor apparatus, inflammatory and allergic skin diseases, inflammatory eye diseases, diseases of the nasal mucosa, inflammatory or allergic conditions involving autoimmune reactions or inflammations of the kidney.

  根据其作为PI3-激酶调节剂的药理活性，提供了公式1的新化合物，可用于治疗炎症或过敏性疾病的治疗领域。 这些例子包括炎症和过敏性呼吸道疾病，胃肠道和运动器官的炎症性疾病，炎症性和过敏性皮肤疾病，炎症性眼病，鼻黏膜疾病，涉及自身免疫反应或肾脏炎症的炎症性或过敏性疾病。
• Pyrazole compounds
  申请人：——

  公开号：US20030060453A1

  公开（公告）日：2003-03-27

  Pharmaceutical compositions and compounds are provided. The compounds of the invention demonstrate anti-proliferative activity, and may promote apoptosis in cells lacking normal regulation of cell cycle and death. In one embodiment of the invention, pharmaceutical compositions of the compounds in combination with a physiologically acceptable carrier are provided. The pharmaceutical compositions are useful in the treatment of hyperproliferative disorders, which disorders include tumor growth, lymphoproliferative diseases, angiogenesis. The compounds of the invention are substituted pyrazoles and pyrazolines.

  提供药物组合物和化合物。发明的化合物显示出抗增殖活性，并且可能促进缺乏正常细胞周期和死亡调控的细胞的凋亡。发明的一个实施例提供了化合物与生理可接受载体组合的药物组合物。该药物组合物可用于治疗过度增殖障碍，包括肿瘤生长、淋巴增殖性疾病、血管生成。发明的化合物是取代吡唑和吡唑啉。
• [EN] PYRAZOLO [4, 3-D] PYRIMIDINES USEFUL AS KINASE INHIBITORS<br/>[FR] PYRAZOLO[4,3-D]PYRIMIDINES UTILES EN TANT QU'INHIBITEURS DE KINASES
  申请人：ORIGENIS GMBH

  公开号：WO2012143144A1

  公开（公告）日：2012-10-26

  The present invention relates to novel compounds of formula (I) that are capable of inhibiting one or more kinases, especially SYK (Spleen Tyrosine Kinase), LRRK2 (Leucine-rich repeat kinase 2) and/or MYLK (Myosin light chain kinase) or mutants thereof. The compounds find applications in the treatment of a variety of diseases. These diseases include autoimmune diseases, inflammatory diseases, bone diseases, metabolic diseases, neurological and neurodegenerative diseases, cancer, cardiovascular diseases, allergies, asthma, alzheimer's disease, parkinson's disease, skin disorders, eye diseases, infectious diseases and hormone-related diseases.

  本发明涉及一种能够抑制一个或多个激酶，特别是SYK（脾酪氨酸激酶）、LRRK2（富含亮氨酸重复的激酶2）和/或MYLK（肌球蛋白轻链激酶）或其突变体的化合物的新颖化合物（I）的公式。这些化合物在治疗各种疾病中发挥作用。这些疾病包括自身免疫疾病、炎症性疾病、骨疾病、代谢性疾病、神经和神经退行性疾病、癌症、心血管疾病、过敏、哮喘、阿尔茨海默病、帕金森病、皮肤疾病、眼部疾病、传染病和与激素相关的疾病。
• COMPOUNDS THAT INHIBIT HIF-1 ACTIVITY, THE METHOD FOR PREPARATION THEREOF AND THE PHARMACEUTICAL COMPOSITION CONTAINING THEM AS AN EFFECTIVE COMPONENT
  申请人：Lee Jung Joon

  公开号：US20090306078A1

  公开（公告）日：2009-12-10

  Disclosed herein are an HIF-1 inhibitor, a method for the preparation thereof, and a pharmaceutical composition comprising the same as an active ingredient. The HIF-1 inhibitor shows anticancer activity thanks to the inhibition activity against HIF-1, a transcription factor which plays an important role in the growth and metastasis of cancer, but not to general cytotoxicity. Thus, the HIF-inhibitor and a pharmaceutically acceptable salt thereof can be used as a therapeutic for various cancers such as liver cancer; stomach cancer and breast cancer. Also, the compound having inhibition activity against HIF-1 is useful in the treatment of diabetic retinopathy and arthritis, which are aggravated by HIF-1-mediated VEGF expression.

  本文披露了一种HIF-1抑制剂，其制备方法，以及包含其作为活性成分的药物组合物。该HIF-1抑制剂显示抗癌活性，这归功于其对HIF-1的抑制活性，HIF-1是一种在癌症生长和转移中起重要作用的转录因子，但不具有一般细胞毒性。因此，HIF抑制剂及其药用可接受的盐可用作治疗各种癌症，如肝癌、胃癌和乳腺癌的治疗药物。此外，具有对HIF-1抑制活性的化合物在治疗由HIF-1介导的VEGF表达加重的糖尿病视网膜病变和关节炎方面是有用的。
• [EN] PYRRAZOLO-PYRIMIDINE DERIVATIVES<br/>[FR] DERIVES DE PYRRAZOLO-PYRIMIDINE
  申请人：HOFFMANN LA ROCHE

  公开号：WO2005123738A1

  公开（公告）日：2005-12-29

  The invention relates to compounds of formula (I) wherein R1, R2, R3, R4, R5 and p are as defined in the description and claims as well as to pharmaceutically acceptable salts thereof per se and as pharmaceutically active substances, their manufacture, medicaments based on a compound in accordance with the invention and their production, as well as the use of the compounds in accordance with the invention in the control or prevention of illnesses of the aforementioned kind, and, respectively, for the production of corresponding medicaments.

  该发明涉及公式（I）中R1、R2、R3、R4、R5和p的化合物，其中这些参数在说明和权利要求中有定义，以及其药学上可接受的盐本身和作为药用活性物质，其制备方法，基于与该发明相符合的化合物的药物，以及它们的生产，以及在控制或预防上述疾病方面使用与该发明相符合的化合物，以及分别用于生产相应的药物。