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1-苯基靛红 | 723-89-7

中文名称
1-苯基靛红
中文别名
1-苯基-1H-吲哚-2,3-二酮;1-苯基吲哚-2,3-二酮;1-苯基靛红,98;1-苯基-2,3-吲哚二酮;1-苯基靛红,98%
英文名称
1-phenyl-indole-2,3-dione
英文别名
1-phenylindoline-2,3-dione;N-phenylisatin;1-phenylisatin;1-phenylindole-2,3-dione
1-苯基靛红化学式
CAS
723-89-7
化学式
C14H9NO2
mdl
MFCD00082681
分子量
223.231
InChiKey
UWCPWBIMRYXUOU-UHFFFAOYSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

物化性质

  • 熔点:
    138-140 °C (lit.)
  • 沸点:
    388.8±25.0 °C(Predicted)
  • 密度:
    1.338±0.06 g/cm3(Predicted)
  • 最大波长(λmax):
    419nm(EtOH)(lit.)
  • 稳定性/保质期:

    在常温常压下保持稳定,应避免与氧化物直接接触。

计算性质

  • 辛醇/水分配系数(LogP):
    2.1
  • 重原子数:
    17
  • 可旋转键数:
    1
  • 环数:
    3.0
  • sp3杂化的碳原子比例:
    0.0
  • 拓扑面积:
    37.4
  • 氢给体数:
    0
  • 氢受体数:
    2

安全信息

  • 危险等级:
    IRRITANT
  • 危险品标志:
    T
  • 安全说明:
    S27,S28,S36/37/39,S45
  • 危险类别码:
    R23/24/25
  • WGK Germany:
    3
  • 海关编码:
    2933990090
  • RTECS号:
    NL7984000
  • 危险性防范说明:
    P301+P312+P330
  • 危险性描述:
    H302
  • 储存条件:
    请将容器密封后,存放在干燥、阴凉的地方。

SDS

SDS:a3f03b5b4e174f7df0c71277181e1169
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Name: 1- Phenylisatin Material Safety Data Sheet
Synonym: 1H-Indole-2,3-Dione, 1-Phenyl-; 1-Phenyl-1H-Indole-2,3-Dione; 1-Phenyl-Indole-2,3-Dione
CAS: 723-89-7
Section 1 - Chemical Product MSDS Name:1- Phenylisatin Material Safety Data Sheet
Synonym:1H-Indole-2,3-Dione, 1-Phenyl-; 1-Phenyl-1H-Indole-2,3-Dione; 1-Phenyl-Indole-2,3-Dione

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
723-89-7 1-Phenylisatin ca 100 unlisted
Hazard Symbols: T
Risk Phrases: 23/24/25

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Toxic 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.
Skin:
May cause skin irritation.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
No information found.

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. Wash clothing before reuse.
Ingestion:
Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or 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:

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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media:
Use agent most appropriate to extinguish fire. Use water spray, dry chemical, carbon dioxide, or appropriate foam.

Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions.
Provide ventilation.

Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

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 ventilation to keep airborne concentrations low.
Exposure Limits CAS# 723-89-7: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
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.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Powder
Color: orange
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 139 deg C
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C14H9NO2
Molecular Weight: 223.23

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, dust generation, excess heat, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, oxides of nitrogen, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 723-89-7: NL7984000 LD50/LC50:
Not available.
Carcinogenicity:
1-Phenylisatin - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

Section 12 - ECOLOGICAL INFORMATION


Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

Section 14 - TRANSPORT INFORMATION

IATA
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: T
Risk Phrases:
R 23/24/25 Toxic by inhalation, in contact with skin
and if swallowed.
Safety Phrases:
S 28 After contact with skin, wash immediately
with...
S 28A After contact with skin, wash immediately with
plenty of water.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
S 37 Wear suitable gloves.
S 38 In case of insufficient ventilation, wear
suitable respiratory equipment.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 723-89-7: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 723-89-7 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 723-89-7 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A



上下游信息

  • 上游原料
    中文名称 英文名称 CAS号 化学式 分子量
  • 下游产品
    中文名称 英文名称 CAS号 化学式 分子量
    • 1
    • 2
    • 3
    • 4

反应信息

  • 作为反应物:
    描述:
    1-苯基靛红sodium hydroxide 、 sodium tetrahydroborate 、 溶剂黄146 作用下, 以 甲醇溶剂黄146异丙醇 为溶剂, 反应 2.0h, 生成 利诺吡啶
    参考文献:
    名称:
    A Large Scale Preparation of the Cognitive Enhancer Linopirdine
    摘要:
    Linopirdine is a pharmacologically potent drug which stimulates central nervous system neurotransmitter release. A facile process used to synthesize linopirdine on a commercial manufacturing scale consisting of seven chemical steps with only a single isolated intermediate is described.
    DOI:
    10.1080/00397919308011258
  • 作为产物:
    参考文献:
    名称:
    DE515542
    摘要:
    公开号:
  • 作为试剂:
    描述:
    靛红Triphenyl bismuth diacetate 1-苯基靛红 作用下, 以 二氯甲烷 为溶剂, 反应 16.0h, 以The desired product, N-phenyl isatin (42.1 mg) was obtained的产率得到1-苯基靛红
    参考文献:
    名称:
    N-arylation of isatins
    摘要:
    本发明揭示了一种使用有机铋试剂进行异色酮的N-芳基化的方法。
    公开号:
    US05151518A1
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文献信息

  • A <i>para</i> -C-H Functionalization of Aniline Derivatives via In situ Generated Bulky Hypervalent Iodinium Reagents
    作者:Chao Tian、Xu Yao、Weizhe Ji、Qian Wang、Guanghui An、Guangming Li
    DOI:10.1002/ejoc.201801058
    日期:2018.11.25
    A general para‐selective C‐H functionalization was achieved via a steric control strategy. Para‐iodo, bromo, chloro, nitro, and trifluormethyl aniline derivatives were prepared via in situ generated, bulky hypervalent iodinium reagents in as little as 10 min. Products can be purified without column chromatography or recrystallization, which significantly reduces the waste and simplifies the work‐up
    通过空间控制策略可实现一般的对选择性C-H功能化。对,硝基和三甲基苯胺生物可在短短10分钟内通过原位生成的大体积高价试剂制备。无需柱色谱或重结晶即可纯化产品,从而大大减少了浪费并简化了后处理过程。
  • Scaffold-Inspired Enantioselective Synthesis of Biologically Important Spiro[pyrrolidin-3,2′-oxindoles] with Structural Diversity through Catalytic Isatin-Derived 1,3-Dipolar Cycloadditions
    作者:Feng Shi、Zhong-Lin Tao、Shi-Wei Luo、Shu-Jiang Tu、Liu-Zhu Gong
    DOI:10.1002/chem.201200358
    日期:2012.5.29
    Catalytic asymmetric construction of the biologically important spiro[pyrrolidin‐3,2′‐oxindole] scaffold with contiguous quaternary stereogenic centers in excellent stereoselectivities (up to >99:1 d.r., 98 % ee) has been established by using an organocatalytic 1,3‐dipolar cycloaddition of isatin‐based azomethine ylides. This protocol represents the first example of catalytic asymmetric 1,3‐dipolar
    通过使用有机催化1,3,已经建立了具有重要立体选择性(具有高达99:1 dr,98%ee的连续性)的具有重要季螺立体构象中心的重要生物学螺旋[pyrrolidin-3,2'-oxindole]支架的催化不对称结构。 基于靛红的甲亚胺烷基化物的偶极环加成。该方案代表了催化不对称1,3-偶极环加成反应的第一个例子,涉及不对称环酮就地生成的甲亚胺基化物。另外,对反应的过渡态进行了理论计算以了解立体化学。使用这些螺[吡咯烷酮-3,2'-羟吲哚]的初步生物测定显示,几种化合物对SW116细胞显示中等程度的细胞毒性。
  • 一种含吡唑啉酮取代-3-羟基氧化吲哚衍生物 及制备方法
    申请人:赣南师范大学
    公开号:CN110256407B
    公开(公告)日:2020-08-25
    本发明提供了一种含吡唑啉酮取代‑3‑羟基氧化吲哚生物及制备方法,属于有机合成技术领域。本发明提供的含吡唑啉酮取代‑3‑羟基氧化吲哚生物,具有式I所示结构,式I中,R1包括氢、甲基、乙基、烯丙基、苯基或苄基;或者5位的氢替换为硝基、卤素、甲基、甲氧基或三甲氧基;或者,7位的氢替换为卤素;或者,4位和7位的氢替换为卤素。本发明提供的含吡唑啉酮取代‑3‑羟基氧化吲哚生物具有潜在的生物活性和药物活性,还可以与亲核试剂在酸催化的作用下发生亲核取代反应;本发明提供的含吡唑啉酮取代‑3‑羟基氧化吲哚生物的制备方法收率高,且操作简单。
  • Polymer-Supported Copper Complex for C−N and C−O Cross-Coupling Reactions with Aryl Boronic Acids
    作者:Gary C. H. Chiang、Thomas Olsson
    DOI:10.1021/ol048943e
    日期:2004.9.1
    [reaction: see text] Immobilization of copper onto modified Wang resin provided a polymer-supported copper catalyst, which is effective in cross-coupling reactions between N- or O-containing substrates and arylboronic acids. The copper catalyst is air stable and can be recycled with minimal loss of activity.
    [反应:见正文]将固定在改性的Wang树脂上提供了一种聚合物负载的催化剂,该催化剂对含N或O的底物与芳基硼酸之间的交叉偶联反应有效。催化剂是空气稳定的,可以在活性损失最小的情况下进行回收。
  • Reductive Coupling of Acrylates with Ketones and Ketimines by a Nickel-Catalyzed Transfer-Hydrogenative Strategy
    作者:Craig S. Buxton、David C. Blakemore、John F. Bower
    DOI:10.1002/anie.201707531
    日期:2017.10.23
    next cycle where it serves as the reductant for C-C bond formation. This strategy represents a conceptually unique approach to transfer-hydrogenative C-C bond formation, thus providing examples of reductive heterocyclizations where hydrogen embedded within an alcohol leaving group facilitates turnover.
    丙烯酸苄酯与活化的酮和亚胺催化下偶联,分别生成γ-丁内酯和内酰胺。内酯化/内酰胺化过程中释放的苯甲醇副产物被传递到下一个循环,在其中充当 CC 键形成的还原剂。该策略代表了一种概念上独特的转移氢化CC键形成方法,从而提供了还原性杂环化的例子,其中氢嵌入醇离去基团中促进周转。
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表征谱图

  • 氢谱
    1HNMR
  • 质谱
    MS
  • 碳谱
    13CNMR
  • 红外
    IR
  • 拉曼
    Raman
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mass
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ir
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  • 峰位数据
  • 峰位匹配
  • 表征信息
Shift(ppm)
Intensity
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Assign
Shift(ppm)
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测试频率
样品用量
溶剂
溶剂用量
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同类化合物

(Z)-3-[[[2,4-二甲基-3-(乙氧羰基)吡咯-5-基]亚甲基]吲哚-2--2- (S)-(-)-5'-苄氧基苯基卡维地洛 (R)-(+)-5'-苄氧基卡维地洛 (R)-卡洛芬 (N-(Boc)-2-吲哚基)二甲基硅烷醇钠 (E)-2-氰基-3-(5-(2-辛基-7-(4-(对甲苯基)-1,2,3,3a,4,8b-六氢环戊[b]吲哚-7-基)-2H-苯并[d][1,2,3]三唑-4-基)噻吩-2-基)丙烯酸 (4aS,9bR)-6-溴-2,3,4,4a,5,9b-六氢-1H-吡啶并[4,3-B]吲哚 (3Z)-3-(1H-咪唑-5-基亚甲基)-5-甲氧基-1H-吲哚-2-酮 (3Z)-3-[[[4-(二甲基氨基)苯基]亚甲基]-1H-吲哚-2-酮 (3R)-(-)-3-(1-甲基吲哚-3-基)丁酸甲酯 (3-氯-4,5-二氢-1,2-恶唑-5-基)(1,3-二氧代-1,3-二氢-2H-异吲哚-2-基)乙酸 齐多美辛 鸭脚树叶碱 鸭脚木碱,鸡骨常山碱 鲜麦得新糖 高氯酸1,1’-二(十六烷基)-3,3,3’,3’-四甲基吲哚碳菁 马鲁司特 马鞭草(VERBENAOFFICINALIS)提取物 马来酸阿洛司琼 马来酸替加色罗 顺式-ent-他达拉非 顺式-1,3,4,4a,5,9b-六氢-2H-吡啶并[4,3-b]吲哚-2-甲酸乙酯 顺式-(+-)-3,4-二氢-8-氯-4'-甲基-4-(甲基氨基)-螺(苯并(cd)吲哚-5(1H),2'(5'H)-呋喃)-5'-酮 靛青二磺酸二钾盐 靛藍四磺酸 靛红联二甲酚 靛红磺酸钠 靛红磺酸 靛红乙烯硫代缩酮 靛红-7-甲酸甲酯 靛红-5-磺酸钠 靛红-5-磺酸 靛红-5-硫酸钠盐二水 靛红-5-甲酸甲酯 靛红 靛玉红衍生物E804 靛玉红3'-单肟5-磺酸 靛玉红-3'-单肟 靛玉红 靛噻 青色素3联己酸染料,钾盐 雷马曲班 雷莫司琼杂质13 雷莫司琼杂质12 雷莫司琼杂质 雷替尼卜定 雄甾-1,4-二烯-3,17-二酮 阿霉素的代谢产物盐酸盐 阿贝卡尔 阿西美辛杂质3