吲哚-7-甲醛 | 1074-88-0

• 物质功能分类: 有机原料 - 醛类化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 中文名称: 吲哚-7-甲醛
• 中文别名: 7-甲酰基吲哚；7-吲哚甲醛
• 英文名称: 1H-indole-7-carbaldehyde
• 英文别名: 7-formylindole；indole-7-carboxaldehyde；indole-7-carbaldehyde；7-indolecarbaldehyde；Indol-7-carbaldehyd；1H-indole-7-carboxaldehyde
• CAS: 1074-88-0
• 化学式: C₉H₇NO
• mdl: MFCD01318152
• 分子量: 145.161
• InChiKey: XQVZDADGTFJAFM-UHFFFAOYSA-N

物化性质

• 熔点：
  87-91 °C (lit.)
• 沸点：
  339.1±15.0 °C(Predicted)
• 密度：
  1.278±0.06 g/cm3(Predicted)
• 溶解度：
  可溶于氯仿、二氯甲烷
• 保留指数：
  1424.9
• 稳定性/保质期：
  常温常压下稳定，避免与空气接触以防止氧化。

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  32.9
• 氢给体数：
  1
• 氢受体数：
  1

安全信息

• 危险品标志：
  Xn
• 安全说明：
  S36/37
• 危险类别码：
  R22,R43
• WGK Germany：
  3
• 海关编码：
  2933990090
• 危险标志：
  GHS07
• 危险性描述：
  H302,H317
• 危险性防范说明：
  P280
• 储存条件：
  存储在干燥的惰性气体中，并确保容器密封良好。将其存放在阴凉、干燥处。

SDS

Name:	Indole-7-carboxaldehyde 98% Material Safety Data Sheet
Synonym:	7-Formylindol
CAS:	1074-88-0

Section 1 - Chemical Product MSDS Name:Indole-7-carboxaldehyde 98% Material Safety Data Sheet
Synonym:7-Formylindol

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
1074-88-0	Indole-7-carboxaldehyde	98%	unlisted

Hazard Symbols: XI
Risk Phrases: 36/37/38

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.Air sensitive.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
Causes respiratory tract irritation. May be harmful if inhaled.
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:
Treat symptomatically and supportively.

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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:
Vacuum or sweep up material and place into a suitable disposal 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:
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# 1074-88-0: 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: Powder
Color: yellow
Odor: amine-like
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 87 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: Insoluble.
Specific Gravity/Density:
Molecular Formula: C9H7NO
Molecular Weight: 145.16

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents.
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# 1074-88-0 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Indole-7-carboxaldehyde - 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
No information available.
IMO
No information available.
RID/ADR
No information available.

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 1074-88-0: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 1074-88-0 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 1074-88-0 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

1-H-吲哚-7-羧酸是一种生物化学试剂，可用于生物材料或有机化合物的研究，在生命科学领域中有重要应用价值。

反应信息

• 作为反应物：
  描述：

  吲哚-7-甲醛 在 哌啶 、 溶剂黄146 作用下， 以 甲苯 为溶剂， 20.0~900.0 ℃ 、2.67 Pa 条件下， 反应 3.28h， 生成 5-cyanopyrrolo[3,2,1-ij]quinolin-4-one
  参考文献：
  名称：

  Pyrrolo[3,2,1-ij]quinolin-4-one and Pyrrolo[3,2,1-ij]quinolin-6-one

  摘要：

  母体吡咯并[3,2,1-ij]喹啉-4-酮和吡咯并[3,2,1-ij]喹啉-6-酮环系统是通过热解适当的丙烯酸酯制成的。第一种情况是在 950 ℃ 下通过闪速真空热解 (FVP) 实现环化，第二种情况是在 525 ℃ 下通过三氧化钨催化剂一步完成环化-加氢反应。

  DOI：

  10.1055/s-0029-1216858
• 作为产物：
  描述：

  3-甲基-2-硝基苯甲酸甲酯 在 manganese(IV) oxide 、 lithium aluminium tetrahydride 、 三氯化钛 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 125.62h， 生成 吲哚-7-甲醛
  参考文献：
  名称：

  Somei, Masanori; Saida, Yoshihiro; Komura, Naoko, Chemical and pharmaceutical bulletin, 1986, vol. 34, # 10, p. 4116 - 4125

  摘要：

  DOI：

文献信息

• Sulfonamide peri-substituted bicyclics for occlusive artery disease
  申请人：Singh Jasbir

  公开号：US20060079520A1

  公开（公告）日：2006-04-13

  Acyl sulfonamide, peri-substituted, fused bicyclic ring compounds useful for the treatment or prophylaxis of a prostaglandin-mediated disease or condition are disclosed. The compounds are of the general formula A representative example is:

  酰基磺酰胺，带有周取代的融合双环环化合物，用于治疗或预防前列腺素介导的疾病或症状。这些化合物的一般公式为 代表性示例是：
• [EN] 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES AND THEIR USE AS 11-BETAHSD1 INHIBITORS<br/>[FR] DERIVES DE PIPERIDINE 1,4 DISUBSTITUEE ET LEUR UTILISATION EN TANT QU'INHIBITEURS DE 11-BETAHSD1
  申请人：ASTRAZENECA AB

  公开号：WO2004033427A1

  公开（公告）日：2004-04-22

  The use of a compound of formula (I) in the manufacture of a medicament for use in the inhibition of 11βHSD1 is described.

  使用式(I)的化合物制造用于抑制11βHSD1的药物。
• Indole-7-carbaldehyde thiosemicarbazone as a flexidentate ligand toward ZnII, CdII, PdII and PtII ions: cytotoxic and apoptosis-inducing properties of the PtII complex
  作者：Abeer A. Ibrahim、Hamid Khaledi、Pouya Hassandarvish、Hapipah Mohd Ali、Hamed Karimian

  DOI：10.1039/c3dt53032a

  日期：——

  thiosemicarbazone ligands: one being dianionic N,N,S-tridentate while the other one is neutral S-monodentate. When PdCl2(PPh3)2 was used as the PdII ion source, Pd(L)(PPh3) was obtained. In a similar manner, the analogous platinum complex, Pt(L)(PPh3), was synthesized. The thiosemicarbazone in the latter two complexes behaves in a dianionic N,N,S-tridentate fashion. The platinum complex was found to have

  合成了一种新的由吲哚-7-甲醛衍生的硫半脲（LH 2），并与Zn II，Cd II，Pd II和Pt II盐反应。与锌和镉盐以2：1（配体-金属）的摩尔比反应，得到MX 2（LH 2）2（X = Cl，Br或OAc）类型的配合物，其中的硫代半碳环素起中性S的作用。 -单齿配体。在氢氧化钾存在下，LH 2与ZnBr 2的反应导致硫半碳zone在肼和吲哚氮上去质子化，形成Zn（L）（CH 3）哦）。在三乙胺的存在下，LH 2与K 2 PdCl 4的反应得到Pd（L）（LH 2），其中含有两个硫代半脲配体：一个是双阴离子N，N，S-三齿，另一个是中性的S-单齿。当使用PdCl 2（PPh 3）2作为Pd II离子源时，获得Pd（L）（PPh 3）。以类似的方式，合成了类似的铂络合物Pt（L）（PPh 3）。在双阴离子在后两个络合物的行为的缩氨基硫脲Ñ，N，S-三足时尚。发现铂络合物对四种癌细胞系
• Quinolines useful in treating cardiovascular disease
  申请人：Collini D. Michael

  公开号：US20050131014A1

  公开（公告）日：2005-06-16

  This invention provides compounds of formula I that are useful in the treatment or inhibition of LXR mediated diseases.

  本发明提供了式I化合物的用途，它们在治疗或抑制LXR介导的疾病中是有用的。
• [EN] N-ACYLHYDRAZONE DERIVATIVES FOR SELECTIVE T CELL INHIBITOR AND ANTI-LYMPHOID MALIGNANCY DRUG<br/>[FR] DÉRIVÉS DE N-ACYLHYDRAZONE DESTINÉS À UN MÉDICAMENT ANTIMALIGNITÉ LYMPHOÏDE ET INHIBANT SÉLECTIVEMENT LES LYMPHOCYTES T
  申请人：CHONG KUN DANG PHARM CORP

  公开号：WO2014035149A1

  公开（公告）日：2014-03-06

  The present invention relates to novel N-acylhydrazone derivatives, and more particularly to novel N-acylhydrazone derivatives having selective T cell inhibitory activity and/or anti-lymphoid malignancy activity, stereoisomers thereof, pharmaceutically acceptable salts thereof, the use thereof for preparing pharmaceutical compositions, pharmaceutical compositions containing the same, treatment methods using the compositions, and methods for preparing the novel N-acylhydrazone derivatives.

  本发明涉及新型的N-酰腙衍生物，特别是具有选择性的T细胞抑制活性和对淋巴细胞恶性肿瘤的活性的新型N-酰腙衍生物，其立体异构体，可药用的盐，以及使用它们来制备药物组合物，包含它们的药物组合物，使用该组合物的治疗方法，以及制备新型N-酰腙衍生物的方法。