3,5-二甲基-4-碘苯胺 | 117832-15-2

• 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: 3,5-二甲基-4-碘苯胺
• 英文名称: 4-iodo-3,5-dimethylaniline
• CAS: 117832-15-2
• 化学式: C₈H₁₀IN
• mdl: MFCD06664471
• 分子量: 247.079
• InChiKey: GVLJJTPNZDAXIJ-UHFFFAOYSA-N

物化性质

• 熔点：
  112-113 °C(Solv: methanol (67-56-1); water (7732-18-5))
• 沸点：
  292.8±28.0 °C(Predicted)
• 密度：
  1.688±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  26
• 氢给体数：
  1
• 氢受体数：
  1

安全信息

• 海关编码：
  2921430090
• 危险性防范说明：
  P280,P305+P351+P338
• 危险性描述：
  H302

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 3,5-Dimethyl-4-iodoaniline
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: 3,5-Dimethyl-4-iodoaniline
CAS number: 117832-15-2

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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, refrigerated.
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: C8H10IN
Molecular weight: 247.1

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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, hydrogen Iodide.

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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：

  3,5-二甲基-4-碘苯胺 在 吡啶 、 copper(l) iodide 、 四(三苯基膦)钯 、 copper(II) acetate monohydrate 、 二异丙胺 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 0.33h， 生成 4,4'-(octa-1,3,5,7-tetrayne-1,8-diyl)bis(3,5-dimethylaniline)
  参考文献：
  名称：

  功能化二芳基四炔的合成及其在单分子结中的传输性质

  摘要：

  描述了六种二芳基四炔衍生物[Ar‐（CC）4 ‐Ar]的合成和表征，其中Ar = 4‐NO 2 ‐ C 6 H 4‐（NO 2 4），4‐NH（Me）C 6 H 4-（NHMe 4），4-NMe 2 C 6 H 4-（NMe 2 4），4-NH 2-（2,6-二甲基）C 6 H 4-（DMeNH 2 4），5-吲哚基（IN4）和5-苯并噻吩基（BTh4）。报告了X射线分子结构NO 2 4，NHMe4，DMeNH 2 4，IN4和BTh4。已在实验室环境条件下（20°C，日光和空气中）评估了四炔的稳定性：NO 2 4和BTh4至少在六个月内稳定，没有可观察到的分解，而NHMe4，NMe 2 4，DMeNH 2 4和IN4会在数小时或数天内分解。具有邻位的导数DMeNH 2 4与Ar = 4-NH 2 C 6 H 4（NH 2 4）的母体化合物相比，部分保护四炔主链的甲基基团要稳定得多。据报

  DOI：

  10.1002/chem.201304671
• 作为产物：
  描述：

  1-氨基-3,5-二甲苯 在 N,N,N-trimethylbenzenemethanaminium dichloroiodate 、 calcium carbonate 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 0.5h， 以96%的产率得到3,5-二甲基-4-碘苯胺
  参考文献：
  名称：

  使用季铵多卤化物的卤化。七、用苄基三甲基二氯碘酸铵(1—)碘化芳香胺

  摘要：

  芳香胺与二氯碘酸苄基铵（1-）在二氯甲烷-甲醇中，在碳酸钙粉末的存在下，在室温下反应几个小时，得到了...

  DOI：

  10.1246/bcsj.61.600

文献信息

• COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY
  申请人：Li Hui

  公开号：US20120028923A1

  公开（公告）日：2012-02-02

  Disclosed are compounds of formula I, compositions containing them, and methods of use for the compounds and compositions in the treatment of conditions in which modulation of the JAK pathway or inhibition of JAK kinases, particularly JAK 2 and JAK3, are therapeutically useful. Also disclosed are methods of making the compounds.

  披露了公式I的化合物，含有它们的组合物，以及使用这些化合物和组合物治疗调节JAK途径或抑制JAK激酶，特别是JAK2和JAK3，具有治疗用途的条件的方法。还披露了制造这些化合物的方法。
• Substituted Pyrrolidine-2-Carboxamides
  申请人：Ding Qingjie

  公开号：US20100075948A1

  公开（公告）日：2010-03-25

  There are provided compounds of the formula wherein X, Y, R 1 , R 2 , R 3 , R 3 , R 4 , R 5 , R 6 and R 7 are as described herein and enantiomers and pharmaceutically acceptable salts and esters thereof. The compounds are useful as anticancer agents.

  提供了以下式的化合物 其中X、Y、R1、R2、R3、R3、R4、R5、R6和R7如本文所述，以及其对映体和药用可接受的盐和酯。这些化合物可用作抗癌药物。
• [EN] SULFONAMIDE COMPOUNDS USEFUL AS CYP17 INHIBITORS<br/>[FR] COMPOSÉS DE SULFONAMIDE UTILES EN TANT QU'INHIBITEURS DE CYP17
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2012015723A1

  公开（公告）日：2012-02-02

  Disclosed are sulfonamide compounds of Formula (I): or stereoisomers, N-oxides, prodrugs, or pharmaceutically acceptable salts thereof, wherein ring A, R1, R2, R3, R4 and R5 are defined herein. Also disclosed are methods of using such compounds in the treatment of conditions related to CYP17 enzyme, such as cancer, and pharmaceutical compositions comprising such compounds.

  公开的是化合物的磺胺类化合物的结构式（I）：或其立体异构体、N-氧化物、前药或其药学上可接受的盐，其中环A、R1、R2、R3、R4和R5在此处定义。还公开了使用这类化合物治疗与CYP17酶相关的疾病的方法，如癌症，并包括这类化合物的药物组合物。
• [EN] LUMINESCENT DIAZA- MONOAZA- AND BENZIMIDAZOLE METAL CARBENE COMPLEXES FOR USE IN ELECTRONIC DEVICES SUCH AS OLEDS<br/>[FR] COMPLEXES LUMINESCENTS DE MÉTAL DE TYPE DIAZA-, MONOAZA- ET BENZIMIDAZOLE-CARBÈNE UTILISABLES DANS DES DISPOSITIFS ÉLECTRONIQUES TELS QUE DES OLED
  申请人：BASF SE

  公开号：WO2015014944A1

  公开（公告）日：2015-02-05

  A cyclometallated Ir complex comprising one, two or three ligands of formula (I) or (I') substituted at the R5 and R7 position; an organic electronic device comprising at least one inventive cyclometallated Ir complex; alight-emitting layer comprising at least one inventive cy-clometallated Ir complex; the use of the inventive cyclometallated Ir complexin an OLED; an apparatus selected from the group consisting of stationary visual display units, mobile visual display units, illumination units, units in items of clothing, units in handbags, units in accessories, units in furniture and units in wallpaper, comprising the organic electronic device; and a process for preparing a the inventive cyclometallated Ir complex.

  一种包含公式（I）或（I'）处于R5和R7位置的一、两或三个配体的环金属化铱配合物；包括至少一个创新的环金属化铱配合物的有机电子器件；包括至少一个创新的环金属化铱配合物的发光层；在OLED中使用创新的环金属化铱配合物；选自固定式视觉显示单元、移动式视觉显示单元、照明单元、服装中的单元、手袋中的单元、配饰中的单元、家具中的单元和墙纸中的单元的设备，包括有机电子器件；以及制备创新的环金属化铱配合物的方法。
• Arylethynyl Derivatives of the Dihydroazulene/Vinylheptafulvene Photo/Thermoswitch: Tuning the Switching Event
  作者：Søren Lindbæk Broman、Michael Åxman Petersen、Christian G. Tortzen、Anders Kadziola、Kristine Kilså、Mogens Brøndsted Nielsen

  DOI：10.1021/ja103235g

  日期：2010.7.7

  to proceed most readily in the presence of an electron-donating group on the seven-membered ring. The rate constant was found to follow a Hammett linear free energy correlation, which signals that stabilization of a positive charge in the seven-membered ring plays a crucial role in the ring-closure reaction. In view of these findings, it was possible to control the switching event by protonation/deprotonation

  通过钯催化的 Sonogashira 交叉偶联反应，采用合适的溴官能化 DHA，制备了一系列在七元环中包含芳乙炔基取代基的二氢薁（DHA）光开关。为了获得稳定的化合物，需要通过空间要求高的基团屏蔽炔桥并分离芳基和 DHA 单元。DHA 经历了光诱导开环成乙烯基七富烯 (VHF)，后者被热转化为两种 DHA 区域异构体的混合物，其中一种是原始的。详细研究了芳基对 DHA 和 VHF 吸收及其相互转化的影响。切换事件的速率通过芳基的供体或受体强度进行微调。发现在七元环上存在给电子基团的情况下，热闭环最容易进行。发现速率常数遵循哈米特线性自由能相关性，这表明七元环中正电荷的稳定性在闭环反应中起着至关重要的作用。鉴于这些发现，有可能通过苯胺取代的 DHA 的质子化/去质子化来控制转换事件。此外，光诱导的开环反应受到酸/碱的强烈控制。除了芳基乙炔基产生的内消旋效应外，还阐明了不同基团对热闭环的诱导效