2-甲基-6-异丙苯胺 | 5266-85-3

• 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: 2-甲基-6-异丙苯胺
• 中文别名: 2-异丙基-6-甲基苯胺；2-甲基-6-异丙基苯胺
• 英文名称: 2-isopropyl-6-methylaniline
• 英文别名: 2-methyl-6-isopropylaniline；2-methyl-6-isopropylphenylamine；2-(1-methylethyl)-6-methylaniline；2-methyl-6-propan-2-ylaniline
• CAS: 5266-85-3
• 化学式: C₁₀H₁₅N
• mdl: MFCD00007746
• 分子量: 149.236
• InChiKey: DDTKYVBFPULMGN-UHFFFAOYSA-N

物化性质

• 沸点：
  231-232°C
• 密度：
  0,957 g/cm3
• 闪点：
  42°C
• 稳定性/保质期：
  在常温常压下保持稳定。

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  26
• 氢给体数：
  1
• 氢受体数：
  1

安全信息

• 危险等级：
  3.2
• 危险品标志：
  Xn
• 危险类别码：
  R20/21/22,R10
• 危险品运输编号：
  1993
• 海关编码：
  2921430090
• 包装等级：
  III
• 危险类别：
  3.2
• 安全说明：
  S16,S26,S27,S36/37/39
• 危险性防范说明：
  P305+P351+P338
• 危险性描述：
  H225,H302,H315,H319
• 储存条件：
  常温下应存放在避光、阴凉干燥处，并密封保存。

SDS

Name:	2-Methyl-6-isopropylaniline 97% Material Safety Data Sheet
Synonym:	2-Methyl-6-(1-methylethyl)benzenamine; 6-Isopropyl-o-toluidin
CAS:	5266-85-3

Section 1 - Chemical Product MSDS Name:2-Methyl-6-isopropylaniline 97% Material Safety Data Sheet
Synonym:2-Methyl-6-(1-methylethyl)benzenamine; 6-Isopropyl-o-toluidin

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
5266-85-3	2-Methyl-6-isopropylaniline	97	226-083-5

Hazard Symbols: XN
Risk Phrases: 10 20/21/22

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Flammable. Harmful by inhalation, in contact with skin and if swallowed.The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation. May cause chemical conjunctivitis and corneal damage.
Skin:
May cause irritation and dermatitis. May cause cyanosis of the extremities.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea. Ingestion of large amounts may cause CNS depression. May form methemoglobin which in sufficient concentration causes cyanosis (bluish discoloration of skin due to deficient oxygenation of the blood).
Inhalation:
May cause cyanosis (bluish discoloration of skin due to deficient oxygenation of the blood). Aspiration may lead to pulmonary edema.
Vapors may cause dizziness or suffocation. May cause burning sensation in the chest.
Chronic:
Absorption into the body leads to the formation of methemoglobin which in sufficient concentrations causes cyanosis (bluish discoloration of skin due to deficient oxygenation of the blood).

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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 immediately.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid immediately. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water.
Inhalation:
Get medical aid immediately. Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen.
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. Vapors may form an explosive mixture with air.
Vapors can travel to a source of ignition and flash back. Will burn if involved in a fire. Use water spray to keep fire-exposed containers cool. Containers may explode in the heat of a fire.
Flammable liquid and vapor. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas.
Extinguishing Media:
Use water spray to cool fire-exposed containers. This material is lighter than water and insoluble in water. The fire could easily be spread by the use of water in an area where the water cannot be contained. Do NOT use straight streams of water. In case of fire, use carbon dioxide, dry chemical powder or appropriate foam.

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Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Clean up spills immediately, observing precautions in the Protective Equipment section. Remove all sources of ignition. Absorb spill using an absorbent, non-combustible material such as earth, sand, or vermiculite. Do not use combustible materials such as sawdust. Use a spark-proof tool. A vapor suppressing foam may be used to reduce vapors.

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Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Use only in a well-ventilated area.
Ground and bond containers when transferring material. Use spark-proof tools and explosion proof equipment. Avoid contact with eyes, skin, and clothing. Empty containers retain product residue, (liquid and/or vapor), and can be dangerous. Keep away from heat, sparks and flame. Avoid ingestion and inhalation. Do not pressurize, cut, weld, braze, solder, drill, grind, or expose empty containers to heat, sparks or open flames.
Storage:
Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a cool, dry, well-ventilated area away from incompatible substances. Flammables-area. Keep containers tightly closed.

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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 general or local explosion-proof ventilation to keep airborne levels to acceptable levels.
Exposure Limits CAS# 5266-85-3: Personal Protective Equipment Eyes: Wear chemical splash goggles. Wear safety glasses and chemical goggles if splashing is possible.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to minimize contact with skin.
Respirators:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Liquid
Color: dark red to brown
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 238 deg C
Freezing/Melting Point: Not available.
Autoignition Temperature: Not applicable.
Flash Point: 41 deg C ( 105.80 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature: Not available.
Solubility in water: 0.3 g/l (20C )
Specific Gravity/Density: .9480g/cm3
Molecular Formula: C10H15N
Molecular Weight: 149.24

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, ignition sources, excess heat, strong oxidants.
Incompatibilities with Other Materials:
Strong oxidizing agents, strong acids.
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# 5266-85-3 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2-Methyl-6-isopropylaniline - Not listed by ACGIH, IARC, or NTP.

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Section 12 - ECOLOGICAL INFORMATION
Other No information available.

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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: FLAMMABLE LIQUID, N.O.S.*
Hazard Class: 3
UN Number: 1993
Packing Group: III
IMO
Shipping Name: FLAMMABLE LIQUID, N.O.S.
Hazard Class: 3.3
UN Number: 1993
Packing Group: III
RID/ADR
Shipping Name: FLAMMABLE LIQUID, N.O.S.
Hazard Class: 3
UN Number: 1993
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 10 Flammable.
R 20/21/22 Harmful by inhalation, in contact with
skin and if swallowed.
Safety Phrases:
S 16 Keep away from sources of ignition - No
smoking.
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 5266-85-3: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 5266-85-3 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 5266-85-3 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

反应信息

• 作为反应物：
  描述：

  2-甲基-6-异丙苯胺 在 N-溴代丁二酰亚胺(NBS) 作用下， 以 乙腈 为溶剂， 反应 3.17h， 生成 4-[4-(4-bromo-2-isopropyl-6-methylphenylamino)pyrimidin-4-ylamino]benzonitrile
  参考文献：
  名称：

  Synthesis of novel diarylpyrimidine analogues of TMC278 and their antiviral activity against HIV-1 wild-type and mutant strains

  摘要：

  Novel diarylpyrimidines (DAPY), which represent next generation of non-nucleoside reverse transcriptase inhibitors (NNRTIs), were synthesized and their activities against human immunodeficiency virus type I (HIV-1) assessed. Modulations at positions 2 and 6 of the left phenyl ring generated interesting derivatives of TMC278 displaying high potency against wild-type and mutant viruses compared to nevirapine and efavirenz. The pharmacokinetic profile of the best newly synthesized DAPY was evaluated and compared with TMC278 now in phase II clinical trials. (c) 2006 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2006.11.014
• 作为产物：
  描述：

  2-溴-6-甲基苯胺 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 palladium on activated charcoal 、 氢气 、 sodium carbonate 作用下， 以 1,4-二氧六环 、 水 、 乙酸乙酯 为溶剂， 生成 2-甲基-6-异丙苯胺
  参考文献：
  名称：

  吡啶并嘧啶酮类化合物及其应用

  摘要：

  本发明提供了具有通式(II)所示结构的吡啶并嘧啶酮类化合物及其应用。研究证明，本发明提供的化合物可以有效抑制KRAS G12C突变。KRAS突变在肿瘤中占比很大，且目前没有获得批准药物对其进行治疗，本发明提供的化合物有潜力成为携带KRAS G12C突变的恶性肿瘤(尤其是非小细胞肺癌(NSCLC)和直结肠癌)的治疗药物，有较大的应用价值。

  公开号：

  CN112159405A
• 作为试剂：
  描述：

  三聚丙烯 、 苯胺 在 AlCl3(2,6-MIPA)2 、 2-甲基-6-异丙苯胺 sodium chloride 作用下， 260.0 ℃ 、6.0 MPa 条件下， 反应 5.0h， 以25%的产率得到2,6-二异丙基苯胺
  参考文献：
  名称：

  [EN] PROCESS FOR THE ALKYLATION OF ARYLAMINES
  [FR] PROCÉDÉ POUR L'ALKYLATION D'ARYLAMINES

  摘要：

  本发明提供了一种原位制备催化活性复合物的方法，用于芳胺烷基化反应，该方法制备的催化活性复合物混合物，一种从所述原位形成的催化活性复合物混合物中单独制备定义的催化活性复合物的方法，使用所述原位或单独制备的催化活性复合物用于芳胺烷基化反应，以及通过使用所述原位或单独制备的催化活性复合物在反应中循环再生所述催化活性复合物的芳胺烷基化反应过程。

  公开号：

  WO2011012300A1

文献信息

• Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases
  申请人：Vertex Pharmaceuticals Incorporated

  公开号：US20150231142A1

  公开（公告）日：2015-08-20

  The present invention relates to pharmaceutical compositions comprising an inhibitor of epithelial sodium channel activity in combination with at least one ABC Transporter modulator compound of Formula A, Formula B, Formula C, or Formula D. The invention also relates to pharmaceutical formulations thereof, and to methods of using such compositions in the treatment of CFTR mediated diseases, particularly cystic fibrosis using the pharmaceutical combination compositions.

  本发明涉及含有上皮钠通道活性抑制剂与至少一种ABC转运蛋白调节剂化合物（A式、B式、C式或D式）的药物组合物。该发明还涉及这些药物配方，以及使用这些组合物治疗CFTR介导的疾病，特别是囊性纤维化的方法。
• Acetamides and benzamides that are useful in treating sexual dysfunction
  申请人：——

  公开号：US20040029887A1

  公开（公告）日：2004-02-12

  The present invention relates to the use of compounds of formula (I) 1 for the treatment of sexual dysfunction and to compositions containing compounds of formula (I) for the treatment of sexual dysfunction.

  本发明涉及使用式(I)的化合物治疗性功能障碍，以及含有式(I)化合物的组合物用于治疗性功能障碍。
• COMPOSITIONS FOR TREATMENT OF CYSTIC FIBROSIS AND OTHER CHRONIC DISEASES
  申请人：Van Goor Fredrick F.

  公开号：US20110098311A1

  公开（公告）日：2011-04-28

  The present invention relates to pharmaceutical compositions comprising an inhibitor of epithelial sodium channel activity in combination with at least one ABC Transporter modulator compound of Formula A, Formula B, Formula C, or Formula D. The invention also relates to pharmaceutical formulations thereof, and to methods of using such compositions in the treatment of CFTR mediated diseases, particularly cystic fibrosis using the pharmaceutical combination compositions.

  本发明涉及包含上皮钠通道活性抑制剂与至少一种ABC转运蛋白调节剂化合物（A式、B式、C式或D式）的药物组合物。该发明还涉及这些药物配方，以及使用这些组合物治疗CFTR介导的疾病，特别是囊性纤维化的方法。
• N-aroylphenylalanine derivative VCAM-1 inhibitors
  申请人：Hoffman-La Roche Inc.

  公开号：US06229011B1

  公开（公告）日：2001-05-08

  Compounds of the formula: are disclosed which have activity as inhibitors of binding between VCAM-1 and cells expressing VLA-4. Such compounds are useful for treating diseases whose symptoms and/or damage are related to the binding of VCAM-1 to cells expressing VLA-4.

  揭示了具有以下化学式的化合物，这些化合物具有作为VCAM-1和表达VLA-4的细胞之间结合抑制剂的活性。这些化合物对于治疗症状和/或损害与VCAM-1与表达VLA-4的细胞结合有关的疾病是有用的。
• PROCESS FOR THE PREPARATION OF AROMATIC AMINES
  申请人：AHRENS SEBASTIAN

  公开号：US20120071692A1

  公开（公告）日：2012-03-22

  A process for preparing an aromatic amine by reacting a corresponding aromatic alcohol with an aminating agent selected from the group consisting of ammonia, primary amines and secondary amines, in the presence of hydrogen and a catalyst molding, at a temperature of from 60-300°. The catalyst molding comprises Zr, Pd and Pt and has an annular tablet form with an external diameter in the range from 2-6 mm, a height in the range from 1-4 mm and an internal diameter of from 1-5 mm or a topologically equivalent form with the same volume. Catalyst moldings comprising Zr, Pd and Pt are also provided. The catalyst molding has an annular tablet form with an external diameter in the range from 3-6 mm, a height in the range from 1-4 mm and an internal diameter of from 2-5 mm or a topologically equivalent form.

  一种通过将相应的芳香醇与选自氨、一级胺和二级胺的氨基化剂在氢气和催化剂模具的存在下反应来制备芳香胺的方法，温度范围为60-300°C。所述催化剂模具包含Zr、Pd和Pt，并具有外径在2-6毫米范围内、高度在1-4毫米范围内和内径为1-5毫米的环形片形式或具有相同体积的拓扑等效形式。还提供了包含Zr、Pd和Pt的催化剂模具。所述催化剂模具具有外径在3-6毫米范围内、高度在1-4毫米范围内和内径为2-5毫米的环形片形式或具有相同体积的拓扑等效形式。

表征谱图