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马杜拉霉素 | 878-61-5

中文名称
马杜拉霉素
中文别名
1-溴-3-乙基金刚烷
英文名称
1-bromo-3-ethyladamantane
英文别名
3-Brom-1-aethyl-adamantan
马杜拉霉素化学式
CAS
878-61-5
化学式
C12H19Br
mdl
——
分子量
243.187
InChiKey
QUUCNKWMKRZRGC-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:
    23 °C
  • 沸点:
    124 °C
  • 密度:
    1.344±0.06 g/cm3 (20 ºC 760 Torr)
  • 闪点:
    115.6±8.4℃
  • 溶解度:
    氯仿(微溶)、乙酸乙酯(微溶)

计算性质

  • 辛醇/水分配系数(LogP):
    5.1
  • 重原子数:
    13
  • 可旋转键数:
    1
  • 环数:
    4.0
  • sp3杂化的碳原子比例:
    1.0
  • 拓扑面积:
    0
  • 氢给体数:
    0
  • 氢受体数:
    0

安全信息

  • 危险品标志:
    Xi
  • 海关编码:
    2903890090

SDS

SDS:9962c99c983d27e388935e984f206312
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Name: 1-Bromo-3-ethyladamantane 95+% Material Safety Data Sheet
Synonym:
CAS: 878-61-5
Section 1 - Chemical Product MSDS Name:1-Bromo-3-ethyladamantane 95+% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
878-61-5 1-Bromo-3-ethyladamantane 95+% unlisted
Hazard Symbols: XI
Risk Phrases: 36/37/38

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.
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.

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.

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.

Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container. Vacuum or sweep up material and place into a suitable disposal container.

Section 7 - HANDLING and STORAGE
Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage:
Keep refrigerated. (Store below 4C/39F.) Store in a tightly closed container. Store in a dry area.

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# 878-61-5: 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.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Liquid
Color: white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 124 - 125 deg C @7mmHg
Freezing/Melting Point: 23 - 24 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:
Specific Gravity/Density:
Molecular Formula: C12H19Br
Molecular Weight: 243

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide, hydrogen bromide, acrid smoke and fumes, bromine.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 878-61-5 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1-Bromo-3-ethyladamantane - 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
No information available.
IMO
No information available.
RID/ADR
No information available.

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# 878-61-5: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 878-61-5 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 878-61-5 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
    1-溴金刚烷 1-Adamantyl bromide 768-90-1 C10H15Br 215.133
    1-(2-溴乙基)金刚烷 1-(2-bromo-ethyl)-adamantane 773-37-5 C12H19Br 243.187

反应信息

  • 作为反应物:
    描述:
    马杜拉霉素硫酸 、 sodium oxalate 作用下, 反应 5.5h, 生成 3-乙基金刚烷羧酸
    参考文献:
    名称:
    Synthesis and biological evaluation of memantine nitrates as a potential treatment for neurodegenerative diseases
    摘要:
    一系列甲基苯胺硝酸盐衍生物被设计和合成,作为具有神经保护和血管舒张活性的双重功能化合物,用于神经退行性疾病。
    DOI:
    10.1039/c6md00509h
  • 作为产物:
    描述:
    1-溴金刚烷magnesium1,2-二溴乙烷 作用下, 以 乙醚 为溶剂, 反应 30.0h, 生成 马杜拉霉素
    参考文献:
    名称:
    具有各种烷基取代基的新型1,3-脱氢金刚烷的阳离子开环聚合:热稳定的聚(1,3-金刚烷)的合成
    摘要:
    5-烷基或5,7-二烷基-1,3-脱氢金刚烷的阳离子开环聚合反应,例如5-己基(4),5-辛基(5),5-丁基7-异丁基((6),5-乙基-7-己基(7)和5-丁基-7-己基-1,3-脱氢金刚烷(8)与超布朗斯台德酸(例如三氟甲烷磺酸或三氟甲烷磺酰亚胺)在CH 2中进行Cl 2或正庚烷。反向碳-碳键在4-8中的开环聚合反应以良好的定量产量提供了相应的聚(1,3-金刚烷)。聚(4–8尽管未取代的聚(1,3-金刚烷)不溶于任何有机溶剂,但具有烷基取代基的s可溶于1,2-二氯苯。特别地,聚(8)在约7500g mol -1处表现出最高的分子量,并且在常见的有机溶剂如THF,CHCl 3,苯和己烷中显示出优异的溶解性。所得的含金刚烷-1,3-二基键的聚(4-8)表现出良好的热稳定性,在400°C范围内观察到10%的失重温度(T 10)。©2013 Wiley Periodicals,Inc. J.
    DOI:
    10.1002/pola.26820
  • 作为试剂:
    描述:
    1-乙基金刚烷马杜拉霉素四氯化碳 、 ice water 、 Disodium;sulfite碳酸氢钠magnesium sulfate 作用下, 以 liquid 为溶剂, 反应 4.0h, 以to afford 1.263 grams (90.3%) of 1-bromo-3-ethyladamantane, bp 114°-115° C. (3.5 mm)的产率得到马杜拉霉素
    参考文献:
    名称:
    Composition and method for treating patients having Parkinson's Disease
    摘要:
    动物帕金森病的治疗是通过在药学上可接受的载体中给动物注射3-乙基-氨基金刚烷来进行的。
    公开号:
    US04346112A1
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文献信息

  • Adamantane derivatives in the prevention and treatment of cerebral
    申请人:Merz + Co. GmbH & Co.
    公开号:US05061703A1
    公开(公告)日:1991-10-29
    A method for the prevention and treatment of cerebral ischemia using an adamantane derivative of the formula ##STR1## wherein R.sub.1 and R.sub.2 are identical or different, representing hydrogen or a straight or branched alkyl group of 1 to 6 C atoms or, in conjunction with N, a heterocyclic group with 5 or 6 ring C atoms; wherein R.sub.3 and R.sub.4 are identical or different, being selected from hydrogen, a straight or branched alkyl group of 1 to 6 C atoms, a cycloalkyl group with 5 or 6 C atoms, and phenyl; wherein R.sub.5 is hydrogen or a straight or branched C.sub.1 -C.sub.6 alkyl group, or a pharmaceutically-acceptable salt thereof, is disclosed.
    使用公式##STR1##中的一种脑缺血的预防和治疗方法,其中R.sub.1和R.sub.2是相同或不同,代表氢或由1到6个碳原子的直链或支链烷基基团,或者与N结合形成具有5或6个环碳原子的杂环基团;其中R.sub.3和R.sub.4是相同或不同,选自氢、由1到6个碳原子的直链或支链烷基基团、具有5或6个碳原子的环烷基基团和苯基;其中R.sub.5是氢或直链或支链C.sub.1-C.sub.6烷基基团,或其药用可接受盐。
  • AMANTADINE NITRATE COMPOUND HAVING A NEUROPROTECTIVE EFFECT AND PREPARATION AND MEDICAL USE THEREOF
    申请人:Guangzhou Magpie Pharmaceuticals Co., Ltd.
    公开号:EP3150574A1
    公开(公告)日:2017-04-05
    The present invention relates to amantadine nitrate compounds having neural protective effect, and preparation method and medical use thereof. The compounds have the structure of the general formula (I). The compounds have multifunctional mechanisms, including inhibiting NMDA receptors, releasing NO, inhibiting calcium influxes, and having protective effects on cells particularly neurocytes. The compounds can be used in the preparation of medicaments having a cellular protective effect, for prevention or treatment of the diseases related to such as NMDA receptors and elevation of calcium anions in cells, including the diseases related to neurodegeneration such as Alzheimer's disease, Parkinson's disease, cerebral paralysis and glaucoma, and the diseases related to cardio-cerebral-vascular system such as Parkinson's syndrome combined with cerebral arteriosclerosis, as well as respiratory tract infections caused by influenza virus.
    本发明涉及具有神经保护作用的金刚烷胺硝酸盐化合物,以及其制备方法和医用。这些化合物具有一般式(I)的结构。这些化合物具有多功能机制,包括抑制NMDA受体、释放NO、抑制钙离子通道进入以及对细胞特别是神经细胞具有保护作用。这些化合物可用于制备具有细胞保护作用的药物,用于预防或治疗与NMDA受体和细胞内钙离子升高相关的疾病,包括与神经退行性疾病相关的疾病,如阿尔茨海默病、帕金森病、脑瘫和青光眼,以及与心脑血管系统相关的疾病,如与脑动脉硬化相结合的帕金森综合征,以及由流感病毒引起的呼吸道感染。
  • 一种金刚烷胺类硝酸酯衍生物的制备工艺
    申请人:青岛海蓝医药有限公司
    公开号:CN109206317B
    公开(公告)日:2021-07-09
    本发明公开了一种金刚烷胺类硝酸酯衍生物的制备工艺,其包括以取代或者未取代的金刚烷为原料,通过以下几步反应制备金刚烷胺类硝酸酯衍生物:(1)金刚烷醇的合成;(2)金刚烷醇的羧化;(3)金刚烷酸的酰胺化;(4)还原;(5)酰胺基金刚烷醇的水解与氨基的Boc保护;(6)Boc保护金刚烷胺醇的析晶;(7)Boc保护金刚烷胺醇的硝酸酯化;(8)硝酸酯化产物的精制;(9)氨基去保护与成盐;(10)金刚烷胺硝酸酯的精制。所述金刚烷胺类硝酸酯衍生物为:其中,R1,R2相同或不相同,分别为氢,直链或支链烷基,取代或未取代的芳基,芳杂基。本发明提供了一种高效、经济、绿色、安全、可靠并且适于工业化生产的金刚烷胺硝酸酯衍生物的制备工艺。
  • Amantadine nitrate compounds with neural protective effect, and preparation and medical use thereof
    申请人:Guangzhou Magpie Pharmaceuticals Co., Ltd.
    公开号:US20180148404A1
    公开(公告)日:2018-05-31
    The present invention relates to amantadine nitrate compounds having neural protective effect, and preparation method and medical use thereof. The compounds have the structure of the general formula (I). The compounds have multifunctional mechanisms, including inhibiting NMDA receptors, releasing NO, inhibiting calcium influxes, and having protective effects on cells particularly neurocytes. The compounds can be used in the preparation of medicaments having a cellular protective effect, for prevention or treatment of the diseases related to such as NMDA receptors and elevation of calcium anions in cells, including the diseases related to neurodegeneration such as Alzheimer's disease, Parkinson's disease, cerebral paralysis and glaucoma, and the diseases related to cardio-cerebral-vascular system such as Parkinson's syndrome combined with cerebral arteriosclerosis, as well as respiratory tract infections caused by influenza virus.
    本发明涉及具有神经保护作用的金刚烷胺硝酸盐化合物,以及其制备方法和医药用途。这些化合物具有通用式(I)的结构。这些化合物具有多功能机制,包括抑制NMDA受体、释放NO、抑制钙离子流入,并对细胞特别是神经细胞具有保护作用。这些化合物可用于制备具有细胞保护作用的药物,用于预防或治疗与NMDA受体和细胞内钙离子升高相关的疾病,包括与神经退行性疾病如阿尔茨海默病、帕金森病、脑瘫和青光眼相关的疾病,以及与帕金森综合征合并脑动脉硬化、以及由流感病毒引起的呼吸道感染相关的心脑血管系统疾病。
  • 一种含有芴衍生基团的三芳胺化合物及其有机电致发光器件
    申请人:长春海谱润斯科技股份有限公司
    公开号:CN113717058B
    公开(公告)日:2023-08-15
    本发明涉及有机光电材料技术领域,具体涉及一种含有芴衍生基团的三芳胺化合物及其有机电致发光器件。本发明提供的含有芴衍生基团的三芳胺化合物空穴迁移率好,玻璃化转变温度(Tg)高,热稳定性和成膜性好,并且具有恰当的能级,应用于OLED器件中的空穴传输区域,能够有效改善器件的发光效率、驱动电压和使用寿命。由于其具有与发光层匹配度更高的HOMO和T1值,作为发光辅助层时,能够阻止激子向发光层与空穴传输区域的界面迁移,避免界面发光,避免有机材料因界面发光而受热老化,进一步提高器件的发光效率和使用寿命。另外,所述的含有芴衍生基团的三芳胺化合物还具有较高的折射率,还可以作为覆盖层。
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