6-(溴甲基)-1,2,3,4-四氢-1,1,4,4,-四甲基萘 | 119435-90-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 四氢化萘
• 中文名称: 6-(溴甲基)-1,2,3,4-四氢-1,1,4,4,-四甲基萘
• 中文别名: 6-(溴甲基)-1,1,4,4-四甲基-1,2,3,4-四氢萘
• 英文名称: (5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-bromomethane
• 英文别名: 6-(bromomethyl)-1,1,4,4-tetramethyl-1,2,3,4-tetrahydronaphthalene；2-bromomethyl-5,6,7,8-tetrahydro-5,5,8,8-tetramethylnaphthalene；6-bromomethyl-1,1,4,4-tetramethyl-1,2,3,4-tetrahydronaphthalene；(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl) bromomethane；6-(bromomethyl)-1,2,3,4-tetrahydro-1,1,4,4-tetramethylnaphthalene；6-bromomethyl-1,2,3,4-tetrahydro-1,1,4,4-tetramethylnaphthalene；6-(bromomethyl)-1,1,4,4-tetramethyl-2,3-dihydronaphthalene
• CAS: 119435-90-4
• 化学式: C₁₅H₂₁Br
• 分子量: 281.236
• InChiKey: YRSSLQXZDTXEBD-UHFFFAOYSA-N

物化性质

• 熔点：
  37 °C
• 沸点：
  110-112/0.7mm
• 密度：
  1.159±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.6
• 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

SDS

Name:	6-(Bromomethyl)-1 1 4 4-tetramethyl-1 2 3 4-tetrahydronaphthalene Material Safety Data Sheet
Synonym:	None know
CAS:	119435-90-4

Section 1 - Chemical Product MSDS Name:6-(Bromomethyl)-1 1 4 4-tetramethyl-1 2 3 4-tetrahydronaphthalene Material Safety Data Sheet
Synonym:None know

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
119435-90-4	6-(Bromomethyl)-1,1,4,4-tetramethyl-1,	90+%	unlisted

Hazard Symbols: C
Risk Phrases: 20/21 34

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Harmful by inhalation and in contact with skin. Causes burns.
Potential Health Effects
Eye:
Causes eye burns.
Skin:
Harmful if absorbed through the skin. Causes skin burns.
Ingestion:
Causes gastrointestinal tract burns.
Inhalation:
Harmful if inhaled. Causes chemical burns to the respiratory tract.
Chronic:
No information found.

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Section 4 - FIRST AID MEASURES
Eyes: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid immediately.
Skin:
Get medical aid immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Get medical aid immediately. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water.
Inhalation:
Get medical aid immediately. Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen.
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 foam, dry chemical, or carbon dioxide.

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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. Avoid generating dusty conditions.

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Section 7 - HANDLING and STORAGE
Handling:
Minimize dust generation and accumulation. Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing.
Use only in a chemical fume hood.
Storage:
Store in a cool, dry place. Store in a tightly closed container.
Corrosives area.

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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# 119435-90-4: 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:
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: Solid or liquid
Color: White
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 110 - 112 deg C @0.7mm Hg
Freezing/Melting Point: Not available.
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: C15H21Br
Molecular Weight: 281.24

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Oxidizing agents, strong bases.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide, hydrogen bromide, bromine.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 119435-90-4 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
6-(Bromomethyl)-1,1,4,4-tetramethyl-1,2,3,4-tetrahydronaphthalene - 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
Shipping Name: CORROSIVE LIQUID, ACIDIC, ORGANIC, N.O.S.*
Hazard Class: 8
UN Number: 3265
Packing Group: III
IMO
Shipping Name: CORROSIVE LIQUID, ACIDIC, ORGANIC, N.O.S.
Hazard Class: 8
UN Number: 3265
Packing Group: III
RID/ADR
Shipping Name: CORROSIVE LIQUID, ACIDIC, ORGANIC, N.O.S.
Hazard Class: 8
UN Number: 3265
Packing group: III

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: C
Risk Phrases:
R 20/21 Harmful by inhalation and in contact with
skin.
R 34 Causes burns.
Safety Phrases:
S 23 Do not inhale gas/fumes/vapour/spray.
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
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# 119435-90-4: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 119435-90-4 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 119435-90-4 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

反应信息

• 作为反应物：
  描述：

  6-(溴甲基)-1,2,3,4-四氢-1,1,4,4,-四甲基萘 在 sodium hydroxide 、 sodium methylate 作用下， 以 甲醇 、 乙醇 、 苯 为溶剂， 反应 7.0h， 生成 4-[(E)-2-(5,5,8,8-四甲基-5,6,7,8-四氢萘-2-基)乙烯基]苯甲酸
  参考文献：
  名称：

  Retinobenzoic acids. 3. Structure-activity relationships of retinoidal azobenzene-4-carboxylic acids and stilbene-4-carboxylic acids

  摘要：

  Alkyl-substituted azobenzene-4-carboxylic acids are potent differentiation inducers of human promyelocytic leukemia cell line HL-60 to mature granulocytes. Their structure-activity relationships are very similar to those of other retinoidal benzoic acids which are generally represented by 4 and named retinobenzoic acids. The structure-activity relationships of azobenzenecarboxylic acids can also be applied to the known retinoid TTNPB (3). Thus, (E)-4-[2-(3,4-diisopropylphenyl)-1-propenyl]benzoic acid (St30 (28] and (E)-4-[2-(3-tert-butylphenyl)ethenyl]benzoic acid (St40 (29], the acyclic alkyl analogues of TTNPB, are nearly as active as retinoic acid. Among the oxidatively derived compounds (Az90, Ep series and Ox series) of azobenzene- or stilbenecarboxylic acids, Az90 (71) and Ep80 (61) have strong activities. However, all the bishydroxylated derivatives of TTNPB are inactive, while a diketo analogue Ox580 (69) has only weak potency. The activities of conformationally restricted compounds of TTNPB offer some information on the stereochemistry of the active form of these retinoidal compounds.

  DOI：

  10.1021/jm00125a027
• 作为产物：
  描述：

  1,1,4,4,6-五甲基-1,2,3,4-四氢化萘 在 N-溴代丁二酰亚胺(NBS) 、 过氧化苯甲酰 作用下， 以 四氯化碳 为溶剂， 反应 2.5h， 以72.5%的产率得到6-(溴甲基)-1,2,3,4-四氢-1,1,4,4,-四甲基萘
  参考文献：
  名称：

  Tricyclic hydroxamate and benzaminde derivatives, compositions and methods

  摘要：

  本发明涉及抑制组蛋白去乙酰化酶酶活性的化合物和方法。本发明还涉及包含这些化合物的药物组合物，以及在体外和体内使用这些化合物和组合物来抑制组蛋白去乙酰化酶（HDACs）并治疗由HDAC介导的疾病，如癌症、增生性疾病、牛皮癣以及中枢神经系统疾病。此外，本发明还涉及制备上述化合物的方法。

  公开号：

  EP1541549A1

文献信息

• Conformationally constrained 3-(4-hydroxy-phenyl)-substituted-propanoic acids useful for treating metabolic disorders
  申请人：Akerman Michelle

  公开号：US20070066647A1

  公开（公告）日：2007-03-22

  The present invention provides compounds useful, for example, for treating metabolic disorders in a subject. Such compounds have the general formula I: where the definitions of the variables Q, L 1 , L 2 , M, X, L 3 , and A are provided herein. The present invention also provides compositions that include, and methods for using, the compounds in preparing medicaments and for treating metabolic disorders such as, for example, type II diabetes.

  本发明提供了一种化合物，例如用于治疗受试者的代谢紊乱。这些化合物具有一般式I： 其中变量Q、L1、L2、M、X、L3和A的定义在此处提供。本发明还提供了包括这些化合物的组合物，以及使用这些化合物制备药物和治疗代谢紊乱的方法，例如II型糖尿病。
• Structure–Activity Relationship Studies and Molecular Modeling of Naphthalene-Based Sphingosine Kinase 2 Inhibitors
  作者：Molly D. Congdon、Yugesh Kharel、Anne M. Brown、Stephanie N. Lewis、David R. Bevan、Kevin R. Lynch、Webster L. Santos

  DOI：10.1021/acsmedchemlett.5b00304

  日期：2016.3.10

  inflammation. SphKs are targets for various diseases such as cancer, fibrosis, and Alzheimer's and sickle cell disease. Herein, we disclose the structure-activity profile of naphthalene-containing SphK inhibitors and molecular modeling studies that reveal a key molecular switch that controls SphK selectivity.

  鞘氨醇激酶的两个同工型（SphK1和SphK2）是将鞘氨醇磷酸化为鞘氨醇-1-磷酸（S1P）的唯一酶，鞘氨醇是一种多效脂质介体，参与许多细胞过程，包括迁移，增殖和炎症。SphK是多种疾病的靶标，例如癌症，纤维化以及阿尔茨海默氏病和镰状细胞病。在这里，我们公开了含萘的SphK抑制剂的结构活性图和分子建模研究，这些研究揭示了控制SphK选择性的关键分子开关。
• Aromatic keto compounds, the preparation thereof, and drugs and
  申请人：BASF Aktiengesellschaft

  公开号：US05194664A1

  公开（公告）日：1993-03-16

  Compounds of the general formula I ##STR1##

  通式I的化合物
• Aromatic polycyclic retinoid-type derivatives, method for preparing same, and use thereof for making pharmaceutical and cosmetic compositions
  申请人：Centre Europeen de Bioprospective-Ceb

  公开号：US06265423B1

  公开（公告）日：2001-07-24

  Novel aromatic polycyclic retinoid-type derivatives of general formula (I), wherein groupings R3 and R4 attached to the double bond between carbons 11 and 12 are cis groupings, and pharmaceutical and cosmetic compositions containing same, are disclosed.

  揭示了一种通式（I）的新型芳香多环维生素A类衍生物，其中与碳11和碳12之间的双键相连的基团R3和R4为顺式基团，并包含同样的药用和化妆品组合物。
• Retinoids, methods for their production and use
  申请人：——

  公开号：US06005007A1

  公开（公告）日：1999-12-21

  Dienoic retinoids having activity for retinoid X receptors or are panagonists on retinoic acid receptors and retinoid X receptors are provided. Also provided are pharmaceutical compositions incorporating such compounds and methods for their therapeutic use.

  提供了对视黄醇X受体具有活性或是视黄酸受体和视黄醇X受体的全激动剂的二烯酸类视黄醇。还提供了包含这些化合物的药物组合物和其治疗用途的方法。