4-丁基-2-甲基苯胺 | 72072-16-3

• 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-丁基-2-甲基苯胺
• 中文别名: 邻甲基对正丁基苯胺；4-丁基-2-甲苯胺；2-甲基-4-正丁基苯胺
• 英文名称: 4-butyl-2-methyl-aniline
• 英文别名: 4-butyl-2-methylaniline；4-butyl-2-methyl-phenylamine；SMIP004-7；4-Butyl-2-methyl-anilin；6-Amino-1-methyl-3-butyl-benzol；6-Amino-3-butyl-toluol
• CAS: 72072-16-3
• 化学式: C₁₁H₁₇N
• 分子量: 163.263
• InChiKey: JTXOXRXZCAMPHL-UHFFFAOYSA-N

物化性质

• 沸点：
  264.3±9.0 °C(Predicted)
• 密度：
  0.939±0.06 g/cm3(Predicted)
• 溶解度：
  氯仿（微溶）、乙酸乙酯（微溶）
• 稳定性/保质期：
  请远离氧化剂、强光、高温、明火、火花、静电以及其他可能的点火源。

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  26
• 氢给体数：
  1
• 氢受体数：
  1

安全信息

• 危险品标志：
  Xn
• 危险类别码：
  R20/21/22
• 海关编码：
  2921430090
• 安全说明：
  S36/37
• 储存条件：
  存放在密封容器中，并置于阴凉、干燥处。请将存储地点远离氧化剂，并在避光的室温环境中保存。

SDS

Name:	4-Butyl-2-methylaniline tech Material Safety Data Sheet
Synonym:
CAS:	72072-16-3

Section 1 - Chemical Product MSDS Name:4-Butyl-2-methylaniline tech Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
72072-16-3	4-Butyl-2-methylaniline		unlisted

Hazard Symbols: XN
Risk Phrases: 20/21/22

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Harmful by inhalation, in contact with skin and if swallowed.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. Harmful if absorbed through the skin.
Ingestion:
Harmful if swallowed. May cause irritation of the digestive tract.
Inhalation:
Harmful if inhaled. May cause respiratory tract irritation.
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:

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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:
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:
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:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 72072-16-3: 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: dark
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
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: C11H17N
Molecular Weight: 163

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide, acrid smoke and fumes.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 72072-16-3 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
4-Butyl-2-methylaniline - 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 LIQUID, ORGANIC, N.O.S.*
Hazard Class: 6.1
UN Number: 2810
Packing Group: III
IMO
Shipping Name: TOXIC LIQUID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2810
Packing Group: III
RID/ADR
Shipping Name: TOXIC LIQUID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2810
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.
Safety Phrases:
S 36/37 Wear suitable protective clothing and
gloves.
WGK (Water Danger/Protection)
CAS# 72072-16-3: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 72072-16-3 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 72072-16-3 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

制备方法与用途

用途主要在于合成染料及其他有机化工产品。

反应信息

• 作为反应物：
  描述：

  4-丁基-2-甲基苯胺 在 吡啶 、 bis[dichloro(pentamethylcyclopentadienyl)iridium(III)] 、 potassium iodide 作用下， 以 水 为溶剂， 反应 3.0h， 生成 3-[(4-{[(4-butyl-2-methylphenyl)(2-methylpropyl)amino]sulfonyl}-2-methylphenyl)oxy]propanoic acid
  参考文献：
  名称：

  [EN] SULFONAMIDE COMPOUNDS AND THEIR USE IN THE MODULATION RETINOID - RELATED ORPHAN RECEPTOR
  [FR] COMPOSÉS DE SULFONAMIDE ET LEUR UTILISATION DANS LA MODULATION DU RÉCEPTEUR ORPHELIN APPARENTÉ AU RÉCEPTEUR DES RÉTINOÏDES

  摘要：

  本发明涉及一种新型的与视黄醇相关孤儿受体γ（RORγ）调节剂，其化学式为（I），以及制备这些调节剂的方法、含有这些调节剂的药物组合物，以及它们在治疗由RORγ介导的炎症性、代谢性和自身免疫性疾病中的应用，其中R1至R7如权利要求1所定义。

  公开号：

  WO2013045431A1
• 作为产物：
  描述：

  benzyl N-(4-butyl-2-methyl-phenyl)carbamate 在 palladium 10% on activated carbon 、 氢气 作用下， 以 甲醇 为溶剂， 15.0 ℃ 、103.42 kPa 条件下， 反应 2.0h， 以97.1%的产率得到4-丁基-2-甲基苯胺
  参考文献：
  名称：

  [EN] MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS
  [FR] ANTIBIOTIQUES MACROCYCLIQUES À LARGE SPECTRE

  摘要：

  本文提供了抗菌化合物，其中在某些实施例中，这些化合物具有广谱生物活性。在各种实施例中，这些化合物通过抑制细菌类型1信号肽酶（SpsB）发挥作用，这是细菌中的一种必需蛋白质。还提供了使用所述化合物的药物组合物和治疗方法。

  公开号：

  WO2017084630A1

文献信息

• SULFONAMIDE COMPOUNDS AND THEIR USE IN THE MODULATION RETINOID-RELATED ORPHAN RECEPTOR
  申请人：Glaxo Group Limited

  公开号：US20140243362A1

  公开（公告）日：2014-08-28

  The present invention is directed to novel retinoid-related orphan receptor gamma (RORγ) modulators of formula (I), processes for their preparation, pharmaceutical compositions containing these modulators, and their use in the treatment of inflammatory, metabolic and autoimmune diseases mediated by RORγ wherein R 1 to R 7 are as defined in claim 35.

  本发明涉及一种新型的与视黄醇相关孤儿受体γ（RORγ）调节剂，其化学式为（I），以及用于制备这些调节剂的方法，含有这些调节剂的药物组合物，以及它们在治疗由RORγ介导的炎症、代谢和自身免疫疾病中的应用，其中R1至R7如权利要求35所定义。
• Pyrrole Derivatives As Pharmaceutical Agents
  申请人：Canne Bannen Lynne

  公开号：US20080234270A1

  公开（公告）日：2008-09-25

  Compounds, compositions and methods for modulating the activity of receptors are provided. In particular compounds and compositions are provided for modulating the activity of receptors and for the treatment, prevention, or amelioration of one or more symptoms of disease or disorder directly or indirectly related to the activity of the receptors.

  提供了用于调节受体活性的化合物、组合物和方法。特别提供了用于调节受体活性的化合物和组合物，以及用于治疗、预防或改善与受体活性直接或间接相关的一种或多种疾病或紊乱的症状的方法。
• [EN] MANNOSE DERIVATIVES FOR TREATING BACTERIAL INFECTIONS<br/>[FR] DÉRIVÉS DE MANNOSE POUR LE TRAITEMENT D'INFECTIONS BACTÉRIENNES
  申请人：VERTEX PHARMA

  公开号：WO2016199105A1

  公开（公告）日：2016-12-15

  The compounds represented by Formula (I) or pharmaceutically acceptable salts thereof: with U, W, X, Y, Z, p and ring A as defined in claim 1. Those compounds are useful for the treatment or prevention of bacteria infections. The variables of Formula (I) are as described herein. Pharmaceutically acceptable compositions comprise the compounds of Formula (I) or pharmaceutically acceptable salts thereof and pharmaceutically acceptable carriers, adjuvants, or vehicles. Methods of treating bacteria infections employ such compounds or pharmaceutically acceptable salts thereof.

  由公式(I)表示的化合物或其药学上可接受的盐：其中U、W、X、Y、Z、p和环A如权利要求1所定义。这些化合物对于治疗或预防细菌感染是有用的。公式(I)的变量如本文所述。药学上可接受的组合物包括公式(I)的化合物或其药学上可接受的盐以及药学上可接受的载体、辅料或载体。治疗细菌感染的方法使用这些化合物或其药学上可接受的盐。
• [EN] MITOCHONDRIAL COMPLEX I INHIBITORS AND METHODS OF USE<br/>[FR] INHIBITEURS DU COMPLEXE MITOCHONDRIAL I ET MÉTHODES D'UTILISATION
  申请人：SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INST

  公开号：WO2021050547A1

  公开（公告）日：2021-03-18

  Disclosed herein are methods of using mitochondrial complex I inhibitors in the treatment of a disease or condition that would benefit from the inhibition of mitochondrial respiration. Also described herein are methods of treating a disease or condition such as prostate cancer and breast cancer by administering a mitochondrial complex I inhibitor in combination with a second therapeutic agent.

  本文披露了使用线粒体复合物I抑制剂治疗需要抑制线粒体呼吸的疾病或状况的方法。本文还描述了通过联合使用线粒体复合物I抑制剂和第二治疗剂来治疗前列腺癌和乳腺癌等疾病或状况的方法。
• [EN] BLUE LUMINESCENT COMPOUNDS<br/>[FR] COMPOSÉS LUMINESCENTS BLEUS
  申请人：DU PONT

  公开号：WO2014085296A1

  公开（公告）日：2014-06-05

  There is provided a compound having Formula II. In Formula II: R1 can be alkyl having 1-6 carbons, silyl having 3-6 carbons, or a deuterated analog thereof; R2 can be alkyl, silyl, aryl, or a deuterated analog thereof; a and c are the same or different and are an integer from 0-4; and b is an integer from 0-5.

  提供一种具有II式的化合物。在II式中：R1可以是具有1-6个碳原子的烷基，具有3-6个碳原子的硅烷基或其氘代物；R2可以是烷基，硅烷基，芳基或其氘代物；a和c相同或不同，是0-4的整数；b是0-5的整数。