4-氨基-N-丁基-苯磺酰胺 | 1829-82-9

• 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: 4-氨基-N-丁基-苯磺酰胺
• 中文别名: 4-氨基-正丁基苯磺酰胺
• 英文名称: 4-amino-N-butylbenzenesulfonamide
• 英文别名: N-butyl-4-aminobenzenesulfonamide；N-(n-butyl)sulfanilamide；sulphanilamido-n-butane；sulfanilic acid butylamide；Sulfanilsaeure-butylamid；N¹-Butyl-sulfanilamid
• CAS: 1829-82-9
• 化学式: C₁₀H₁₆N₂O₂S
• mdl: MFCD02951453
• 分子量: 228.315
• InChiKey: XXRNQEBDIQPZRC-UHFFFAOYSA-N

物化性质

• 熔点：
  102 °C
• 沸点：
  388.8±44.0 °C(Predicted)
• 密度：
  1.190±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  15
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  80.6
• 氢给体数：
  2
• 氢受体数：
  4

安全信息

• 海关编码：
  2935009090

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 4-Amino-n-butylbenzenesulfonamide
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: 4-Amino-n-butylbenzenesulfonamide
CAS number: 1829-82-9

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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: C10H16N2O2S
Molecular weight: 228.3

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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

反应信息

• 作为反应物：
  描述：

  4-氨基-N-丁基-苯磺酰胺 在 盐酸 、 sodium nitrite 作用下， 以 1,4-二氧六环 、 水 为溶剂， 反应 2.0h， 生成 N-(n-butyl)-4-[(3,5-diamino-1-(4-chlorobenzoyl)-1H-pyrazol-4-yl)diazenyl]benzenesulfonamide
  参考文献：
  名称：

  Abbas, Hebat-Allah S.; Abd El-Karim, Somaia S.; Ahmed, Entesar M., Acta poloniae pharmaceutica, 2016, vol. 73, # 5, p. 1163 - 1180

  摘要：

  DOI：
• 作为产物：
  描述：

  N-N-丁基-4-硝基苯磺酰胺 在 铁粉 、 溶剂黄146 、 sodium carbonate 作用下， 以 乙醇 、 水 、 甲醇 为溶剂， 反应 31.0h， 以79%的产率得到4-氨基-N-丁基-苯磺酰胺
  参考文献：
  名称：

  감광성 수지 조성물 및 이를 이용한 컬러필터

  摘要：

  包含聚合物和绿色颜料的染色剂；（B）粘合剂树脂；（C）光聚合单体；（D）光聚合引发剂；以及（E）溶剂，并且所述聚合物由上述化学式1表示，包括相对于所述绿色颜料100重量部的100至300重量部的感光树脂组合物，以及由此制成的彩色滤光片。【化学式1】（在上述化学式1中，a、b、c如定义所述。）

  公开号：

  KR20160036327A

文献信息

• Glucagon antagonists/inverse agonists
  申请人：Noro Nordisk A/S

  公开号：US06503949B1

  公开（公告）日：2003-01-07

  Disclosed is a novel class of compounds of formula (I) wherein V, A, Y, Z, R1, E, X and D are as defined in the specification. These compounds act to antagonize the action of the glucagon hormone on the glucagon receptor. Owing to their antagonizing effect of the glucagon receptor, the compounds are suitable for treating or preventing glucagon-mediated conditions and diseases such as hyperglycemia, Type 1 diabetes, Type 2 diabetes and obesity.

  揭示了一类新的化合物，其化学式为（I），其中V、A、Y、Z、R1、E、X和D的定义如规范中所述。这些化合物作用于拮抗胰高血糖素激素对胰高血糖素受体的作用。由于这些化合物对胰高血糖素受体的拮抗作用，它们适用于治疗或预防由胰高血糖素介导的疾病和病症，如高血糖、1型糖尿病、2型糖尿病和肥胖症。
• Molecular modeling studies and synthesis of novel quinoxaline derivatives with potential anticancer activity as inhibitors of c-Met kinase
  作者：Hebat-Allah S. Abbas、Aisha R. Al-Marhabi、Sally I. Eissa、Yousry A. Ammar

  DOI：10.1016/j.bmc.2015.09.023

  日期：2015.10

  addition, chlorination of 1 with phosphorus oxychloride afforded the 2-chloro derivative 5 which was used as a key intermediate for the synthesis of substituted quinoxaline derivatives 6-8, N-pyrazole derivative 9, tetrazolo[1,5-a]quinoxaline derivative 10 and Schiff base derivatives 13, 15 via reaction with several nucleophiles reagents. Docking methodologies were used to predict their binding conformation

  为了开发有效的抗癌药，我们合成了一些取代的喹喔啉衍生物。6-溴-3-甲基喹喔啉-2（1H）-1与芳族醛的反应提供了苯乙烯基衍生物2a-e。用氯乙酸乙酯将1烷基化，生成N-烷基衍生物3。将酯衍生物3与水合肼水合肼解，得到酰肼衍生物4。此外，将1用氯氧化磷氯化，得到2-氯衍生物5，将其用作中间体。通过与几种亲核试剂反应合成取代的喹喔啉衍生物6-8，N-吡唑衍生物9，四唑[1,5-a]喹喔啉衍生物10和席夫碱衍生物13、15的关键中间体。对接方法用于预测其结合构象，以解释其测试的生物学活性的差异。体外筛选所有测试的化合物对三种肿瘤细胞系的细胞毒性作用。研究了一些新的喹喔啉衍生物作为c-Met激酶的抑制剂，c-Met激酶是在许多人类癌症中与高肿瘤等级和不良预后相关的受体。化合物2e，4、7a，12a，12b和13在CDOCKER能量评分中显示出最高的结合亲和力，而对三种类型的癌细胞系则显示出最低的
• 一种合成氨基-(N-烷基)苯磺酰胺的方法
  申请人：南京理工大学

  公开号：CN106146358B

  公开（公告）日：2018-01-23

  本发明公开了一种合成氨基‑(N‑烷基)苯磺酰胺的方法。包括如下步骤：在反应容器中，加入氨基苯磺酰胺、铱络合物催化剂、碱、化合物醇、溶剂叔戊醇，反应混合物在120‑150 oC下反应数小时后，冷却到室温，旋转蒸发除去溶剂，然后通过柱分离，得到目标化合物。本发明使用商品化的氨基苯磺酰胺和近于无毒的化合物醇为起始原料；反应只生成水为副产物，无环境危害；反应原子经济性高。
• Glucagon Antagonists/Inverse Agonists
  申请人：Lau Jesper

  公开号：US20090143592A1

  公开（公告）日：2009-06-04

  A novel class of compounds, which act to antagonize the action of the glucagon hormone on the glucagon receptor. Owing to their antagonizing effect of the glucagon receptor the compounds may be suitable for the treatment and/or prevention of any glucagon-mediated conditions and diseases such as hyperglycemia, Type 1 diabetes, Type 2 diabetes and obesity.

  一种新型化合物，可拮抗胰高血糖素对胰高血糖素受体的作用。由于这些化合物对胰高血糖素受体的拮抗作用，这些化合物可能适用于治疗和/或预防任何胰高血糖素介导的疾病和病症，如高血糖、1型糖尿病、2型糖尿病和肥胖症。
• Organic nonlinear optical materials
  申请人：HOECHST AKTIENGESELLSCHAFT

  公开号：EP0644453A1

  公开（公告）日：1995-03-22

  Organic nonlinear optical materials that have light absorption in the crystal at wavelengths shorter than 390 nm, that have good crystallinity and processability, that have a non-centrosymmetry molecular arrangement and that hence are suitable for use in wavelength conversion devices comprises compounds having the formula I: where    R¹, R² and R³ which may be the same or different represent a hydrogen atom, an alkyl group, an aryl group or a heterocyclic group;    R⁴ is a hydrogen atom, an alkyl group, an aryl group, a heterocyclic group or an electron withdrawing group;    R⁵ which may be the same or different represent a hydrogen atom, an alkyl group, an aryl group, a heterocyclic group or an electron donating group;    m is an integer of 1 to 4;    when m is 2 or more, two or more R⁵s may bind together to form a ring;    provided that R³ is not a methyl group when R¹, R², R⁴ and R⁵ are all hydrogen atoms.

  有机非线性光学材料在波长短于 390 纳米的晶体中具有光吸收特性，具有良好的结晶性和加工性，具有非中心对称的分子排列，因此适用于波长转换装置，包括具有式 I 的化合物： 式中 可以相同或不同的 R¹、R² 和 R³ 代表氢原子、烷基、芳基或杂环基团； R⁴ 是氢原子、烷基、芳基、杂环基团或退电子基团； 可以相同或不同的 R⁵ 代表氢原子、烷基、芳基、杂环基团或电子捐赠基团； m 是 1 至 4 的整数； 当 m 为 2 或 2 以上时，两个或两个以上的 R⁵ 可结合在一起形成一个环； 当 R¹、R²、R⁴ 和 R⁵ 都是氢原子时，R³ 不是甲基。