8-羟基久洛里定 | 41175-50-2

• 物质功能分类: 化学试剂 - 有机试剂 - 芳香醇
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 中文名称: 8-羟基久洛里定
• 中文别名: 8-羟基久洛尼定
• 英文名称: 8-hydroxyjulolidine
• 英文别名: 2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolin-8-ol；1,2,3,5,6,7-hexahydropyrido[3,2,1-ij]quinolin-8-ol；8-hydroxy-2,3,6,7-tetrahydro-1H,5H-benzo[ij]quinolizine；1H,5H-Benzo[ij]quinolizin-8-ol, 2,3,6,7-tetrahydro-；1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-6-ol
• CAS: 41175-50-2
• 化学式: C₁₂H₁₅NO
• mdl: MFCD00006918
• 分子量: 189.257
• InChiKey: FOFUWJNBAQJABO-UHFFFAOYSA-N

物化性质

• 熔点：
  132-134 °C(lit.)
• 沸点：
  374.4±41.0 °C(Predicted)
• 密度：
  1.22±0.1 g/cm3(Predicted)
• 溶解度：
  可溶于氯仿（少许）、甲醇（少许）
• 稳定性/保质期：

  常规情况下不会分解，没有危险反应。

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  14
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  23.5
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• TSCA：
  Yes
• 危险品标志：
  Xi
• 安全说明：
  S22,S24/25,S26,S37/39
• 危险类别码：
  R36/37/38
• WGK Germany：
  3
• 海关编码：
  2933990090
• 危险品运输编号：
  NONH for all modes of transport
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H315,H319,H335
• 储存条件：
  密封、阴凉、干燥保存。

SDS

Name:	8-Hydroxyjulolidine 98% Material Safety Data Sheet
Synonym:	None
CAS:	41175-50-2

Section 1 - Chemical Product MSDS Name:8-Hydroxyjulolidine 98% Material Safety Data Sheet
Synonym:None

---

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
41175-50-2	8-Hydroxyjulolidine	98	255-247-9

Hazard Symbols: None Listed.
Risk Phrases: None Listed.

---

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
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:
Never give anything by mouth to an unconscious person. 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# 41175-50-2: 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: Solid
Color: almost white
Odor: none reported
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 149 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: soluble in ethanol
Specific Gravity/Density:
Molecular Formula: C18H19NO2
Molecular Weight: 281.34

---

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:
Nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported

---

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 41175-50-2 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
8-Hydroxyjulolidine - Not listed by ACGIH, IARC, or NTP.

---

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: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
S 28A After contact with skin, wash immediately with
plenty of water.
S 37 Wear suitable gloves.
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# 41175-50-2: No information available.
Canada
CAS# 41175-50-2 is listed on Canada's NDSL List.
CAS# 41175-50-2 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 41175-50-2 is listed on the TSCA inventory.

---

SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

应用

8-羟基久洛里定是一种有机合成中间体和医药中间体，主要应用于实验室研发过程以及生物化工生产过程。

反应信息

• 作为反应物：
  描述：

  8-羟基久洛里定 在 palladium diacetate 1,3-双(二苯基膦)丙烷 、 碳酸氢钠 、 三乙胺 作用下， 以 二氯甲烷 、 甲苯 、 乙腈 为溶剂， 反应 6.0h， 生成 6-[(2R,5R)-5-(hydroxymethyl)-4-(methoxymethoxy)-2,5-dihydrofuran-2-yl]-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,8-tetraen-4-one
  参考文献：
  名称：

  Synthesis of a Novel Coumarin C-Riboside as a Photophysical Probe of Oligonucleotide Dynamics

  摘要：

  DOI：

  10.1021/jo980478+
• 作为产物：
  描述：

  8-甲氧基久洛利定 在 盐酸 、 氢碘酸 作用下， 以 水 为溶剂， 以67%的产率得到8-羟基久洛里定
  参考文献：
  名称：

  Novel Iminocoumarin Derivatives: Synthesis, Spectroscopic and Computational Studies

  摘要：

  从3-苯并咪唑取代香豆素和不同芳香醛合成了三种具有高量子产率的新型亚氨基香豆素衍生物。通过UV-可见光谱和荧光光谱在极性和非极性溶剂中研究了合成化合物的光物理行为。这些化合物在450nm左右显示最大吸收峰,在500nm左右显示最大发射峰。这些化合物在二氯甲烷和氯仿中的量子产率大于0.90。化合物的吸收、发射和量子产率依赖于溶剂�极性。除了强烈的吸收外,这些化合物在研究的溶剂中还显示肩峰吸收。溶剂极性图揭示了合成分子中从给体到受体的电荷转移过程。密度泛函理论和含时密度泛函理论计算被用来更好地理解染料的结构、分子、电子和光物理参数。通过FT-IR、1H NMR、13C NMR和质谱分析对染料进行了表征。

  DOI：

  10.1007/s10895-015-1648-4
• 作为试剂：
  描述：

  在 8-羟基久洛里定 作用下， 以 甲醇 、 氯仿 为溶剂， 反应 20.0h， 生成 9-[4-(6,7,9,10,12,13,20,21,23,24-decahydro-2,17-dimethyl-5,14-(ethanoxyethanoxyethano)-5H,14H,22H-dibenzo[h,q][1,4,10,16,7,13,19]tetraoxatriazacycloheneicosin-22-yl)-3-(2-methoxyethoxy)phenyl]-2,3,6,7,12,13,16,17-octahydro-1H,5H,11H,15H-xantheno[2,3,4-ij:5,6,7-i'j']diquinolizin-18-ium chloride
  参考文献：
  名称：

  WO2007/44866

  摘要：

  公开号：

文献信息

• QUENCHER
  申请人：Wako Pure Chemical Industries, Ltd.

  公开号：US20170342031A1

  公开（公告）日：2017-11-30

  A quencher is disclosed having a compound represented by the following general formula (1): wherein R 5 each independently represent a halogen atom, an alkyl group, an alkoxy group, an alkylthio group, an amino group having a substituent or not having a substituent, a hydroxy group, an aryl group, an aryloxy group, or an arylalkyl group; R 6 represents a group having a polymerizable unsaturated group, a hydroxy group, or the like; Y 1 represents an oxygen atom, or the like; An − represents an anion; Ar 1 represents a specific ring structure; * and ** represent binding positions; Ar 2 represents a benzene ring, a naphthalene ring, or an anthracene ring; n 1 represents a specific integer; and the following structure (1-10) in the general formula (1) is an asymmetric structure; (wherein R 5 , Y 1 , Ar 1 , Ar 2 , n 1 , * and ** are the same as described above.).

  一种淬灭剂被公开，该淬灭剂具有以下一般公式(1)表示的化合物： 其中R5各自独立代表一个卤素原子、一个烷基团、一个烷氧基团、一个烷硫基团、一个带有或不带有取代基的氨基团、一个羟基、一个芳基团、一个芳氧基团或一个芳烷基团；R6代表一个具有可聚合不饱和基团、一个羟基或类似基团的集团；Y1代表一个氧原子或类似；An代表一个阴离子；Ar1代表一个特定的环结构；*和**代表结合位置；Ar2代表一个苯环、一个萘环或一个蒽环；n1代表一个特定的整数； 并且一般公式(1)中的以下结构(1-10)是一个不对称结构； (其中R5、Y1、Ar1、Ar2、n1、*和**与上述描述相同)。
• SMMR (small molecule metabolite reporters) for use as in vivo glucose biosensors
  申请人：Bellott M. Emile

  公开号：US20070110672A1

  公开（公告）日：2007-05-17

  Small Molecule Metabolite Reporters (SMMRs) for use as in vivo glucose biosensors, sensor compositions, and methods of use, are described. The SMMRs include boronic acid-containing xanthene, coumarin, carbostyril and phenalene-based small molecules which are used for monitoring glucose in vivo, advantageously on the skin.

  用于体内葡萄糖生物传感器的Small Molecule Metabolite Reporters (SMMRs)、传感器组合物及其使用方法被描述。SMMRs包括含有硼酸的小分子，基于黄烷、香豆素、卡波罗司坦和菲内烯，用于监测体内的葡萄糖，优选在皮肤上。
• Fluorescent red emitting functionalizable calcium indicators
  申请人：Paris Sciences et Lettres - Quartier Latin

  公开号：EP2878602A1

  公开（公告）日：2015-06-03

  The present invention relates to compounds of formula I and a process for manufacturing said compounds. The invention further relates to the use of the compounds of the invention for the detection of calcium ions and to a method of detecting intracellular calcium.

  本发明涉及式I的化合物 以及制造所述化合物的方法。本发明进一步涉及将本发明的化合物用于检测钙离子，以及检测细胞内钙的方法。
• Novel amino acid ester and reagent composition for detecting leucocytes or elastase in body liquid
  申请人：KYOTO DAIICHI KAGAKU CO., LTD.

  公开号：EP0661280A1

  公开（公告）日：1995-07-05

  An amino acid ester of the formula: (X-O-A-)n-Y in which X is derived from an aromatic or heterocyclic compound: X-OH or its derivative; A is a residue of a L-amino acid, n is an integer of at least 2, and Y is a N-substituent of an amino acid derived from a compound having the same or different two or more carbonyl or sulfonyl groups which is formed from a single or complex compound selected from the group consisting of noncyclic or cyclic hydrocarbons having 1 to 10 carbon atoms, saturated or unsaturated heterocyclic compounds, aromatic compounds, organosilicon compounds having 1 to 10 silicon atoms, monosaccharides and oligosaccharide comprising 2 to 10 monosaccharides, all of which may have a substituent and/or a hetero atom to form the complex, which ester is specifically hydrolyzed by leucocytes or elastase.

  公式为(X-O-A-)n-Y的氨基酸酯，其中X源自芳香族或杂环化合物：X-OH或其衍生物；A是L-氨基酸的残基，n是至少为2的整数，Y是源自具有相同或不同的两个或更多个羰基或磺酰基的化合物的氨基酸的N-取代基，该化合物由选择自非环烃或环烃的群组成的单一或复杂化合物形成，该群包括具有1至10个碳原子的饱和或不饱和杂环化合物、芳香族化合物、具有1至10个硅原子的有机硅化合物、由2至10个单糖组成的单糖和寡糖，所有这些化合物均可具有取代基和/或杂原子以形成复合物，该酯特异地被白细胞或弹性蛋白酶水解。
• Altering Fundamental Trends in the Emission of Xanthene Dyes
  作者：Lei G. Wang、Ian Munhenzva、Martha Sibrian-Vazquez、Jorge O. Escobedo、Catherine H. Kitts、Frank R. Fronczek、Robert M. Strongin

  DOI：10.1021/acs.joc.8b03030

  日期：2019.3.1

  enable researchers and clinicians to visualize biological events in living cells, tissues, and organs in real time. Herein, the focus is on the structure and properties of the relatively rare benzo[ a]xanthenes that exhibit enhanced steric and electronic interactions due to their annulated structures. Three types of fluorophores were synthesized: (i) pH- and solvent-dependent seminaphthorhodafluors, (ii)

  荧光小分子使研究人员和临床医生能够实时观察活细胞，组织和器官中的生物事件。在本文中，重点是相对稀有的苯并[a]黄嘌呤的结构和性质，该苯并[x]黄嘌呤由于其环化结构而显示出增强的空间和电子相互作用。合成了三种类型的荧光团：（i）pH和溶剂依赖性的准六氟ho，（ii）pH和溶剂依赖性的准六氟semi，以及（iii）pH无关但对溶剂敏感的准六甲胺。这些探针显示出有希望的远红外到近红外（NIR）发射，大的斯托克频移，半峰宽（fwhm）的宽全宽度，相对较高的量子产率以及在免疫荧光染色中的实用性。

表征谱图