1,2,3,4-四氢-2-萘酚 | 530-91-6

• 物质功能分类: 化学试剂 - 有机试剂 - 多环化合物
• 分子结构分类: 有机化合物 - 苯类化合物 - 四氢化萘
• 中文名称: 1,2,3,4-四氢-2-萘酚
• 中文别名: 1,2,3,4-4氢-2-奈酚
• 英文名称: 1,2,3,4-tetrahydronaphthalen-2 ol
• 英文别名: 1,2,3,4-tetrahydro-2-naphthol；2-tetralol；tetralin-2-ol；1,2,3,4-tetrahydro-2-naphthalenol；1,2,3,4-tetrahydronaphthalen-2-ol
• CAS: 530-91-6
• 化学式: C₁₀H₁₂O
• 分子量: 148.205
• InChiKey: JWQYZECMEPOAPF-UHFFFAOYSA-N

物化性质

• 熔点：
  15.5 °C
• 沸点：
  140 °C (12 mmHg)
• 密度：
  0.9332 (rough estimate)
• 颜色/状态：
  LIQUID
• 稳定性/保质期：
  存在于烟气中。

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

ADMET

代谢

BETA-TETRALOL 是兔子的 TETRALIN 的代谢物。

BETA-TETRALOL IS A METABOLITE OF TETRALIN IN RABBITS.

来源:Hazardous Substances Data Bank (HSDB)

代谢

兔子的主要代谢物是β-对羟基苯乙醇葡萄糖苷酸。

THE MAJOR METABOLITE OF BETA-TETRALOL IN RABBITS IS BETA-TETRALOL GLUCURONIDE.

来源:Hazardous Substances Data Bank (HSDB)

安全信息

• 危险品标志：
  Xn
• 安全说明：
  S26,S37/39
• 危险类别码：
  R36/37/38
• 海关编码：
  2907199090
• 危险性防范说明：
  P280,P305+P351+P338
• 危险性描述：
  H302
• 储存条件：
  密封保存，宜存放在阴凉干燥的仓库中。

SDS

Name:	1 2 3 4-Tetrahydro-2-naphthol 97% Material Safety Data Sheet
Synonym:	1,2,3,4-tetrahydro- ; 1,2,3,4-tetrahydro-2-naphthol ; tetralol ; beta-tetralo
CAS:	530-91-6

Section 1 - Chemical Product MSDS Name:1 2 3 4-Tetrahydro-2-naphthol 97% Material Safety Data Sheet
Synonym:1,2,3,4-tetrahydro- ; 1,2,3,4-tetrahydro-2-naphthol ; tetralol ; beta-tetralo

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
530-91-6	1,2,3,4-Tetrahydro-2-naphthol	97%	208-497-8

Hazard Symbols: XN
Risk Phrases: 22 36/37/38

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Harmful if swallowed. Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation.
Ingestion:
May be harmful if swallowed.
Inhalation:
Causes respiratory tract irritation.
Chronic:
No information found.

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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:
Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Get medical aid if irritation develops or persists. Wash clothing before reuse.
Ingestion:
If victim is conscious and alert, give 2-4 cupfuls of milk or water.
Never give anything by mouth to an unconscious person. Get medical aid.
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 if cough or other symptoms appear.
Notes to Physician:
Antidote: None reported.

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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. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas.
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. Clean up spills immediately, observing precautions in the Protective Equipment section. Provide ventilation.

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Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Use with adequate ventilation. Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on 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. Keep containers tightly closed.

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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# 530-91-6: 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: Liquid
Color: Not available.
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 140 deg C @ 12.00mm Hg
Freezing/Melting Point: 15.5 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: C10H12O
Molecular Weight: 148.20

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
No information found.
Conditions to Avoid:
None reported.
Incompatibilities with Other Materials:
None reported.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide, acrid smoke and fumes.
Hazardous Polymerization: Has not been reported.

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 530-91-6: QL5250000 LD50/LC50:
CAS# 530-91-6: Oral, mouse: LD50 = 2 mL/kg; Oral, rabbit: LD50 = 2800 uL/kg; Oral, rat: LD50 = 1 mL/kg; Skin, rabbit: LD50 = >4 mL/kg.
Carcinogenicity:
1,2,3,4-Tetrahydro-2-naphthol - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

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

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XN
Risk Phrases:
R 22 Harmful if swallowed.
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# 530-91-6: No information available.
Canada
CAS# 530-91-6 is listed on Canada's NDSL List.
CAS# 530-91-6 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 530-91-6 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：

  1,2,3,4-四氢-2-萘酚 在 咪唑 、 碘 、 三苯基膦 作用下， 以 二氯甲烷 为溶剂， 反应 18.0h， 以74%的产率得到2-Iodotetralone
  参考文献：
  名称：

  动态多配体催化：极性到自由基交叉策略将炔烃碳硼化扩展为未活化的仲烷基卤化物

  摘要：

  我们描述了基于前所未有的动态多配体配位池的 Cu 催化的双重策略，该池在单个催化循环中触发合作的极性/自由基途径。该策略已被应用于解决 Cu 催化的 B 2 pin 2固有的限制性限制-炔烃的碳硼化——中间体乙烯基-Cu(I) 物质的反应性非常低，这使得传统方法对烷基亲电试剂无效，而不是简单的伯卤化物。通过有机金属中间体中的配体交换实现的交叉策略克服了这一反应性问题，将碳硼化的范围扩大到未活化的仲烷基卤化物，并开辟了获得立体定义的四取代乙烯基硼酸酯的新途径。该方法具有区域选择性和立体选择性，显示出优异的官能团耐受性，并允许在任一反应伙伴处掺入复杂的碳环和杂环片段。

  DOI：

  10.1016/j.chempr.2021.06.002
• 作为产物：
  描述：

  2-萘酚 在 C₂₁H₂₇ClN₃OPRu⁽¹⁺⁾ 、 potassium tert-butylate 、 氢气 作用下， 以 甲苯 为溶剂， 170.0 ℃ 、4.48 MPa 条件下， 反应 72.0h， 以79%的产率得到1,2,3,4-四氢-2-萘酚
  参考文献：
  名称：

  定义明确的钌和磷-氮PN 3-含邻菲咯啉骨架的配体的络合物对戊烯的选择性催化加氢

  摘要：

  使用过渡金属催化剂对芳族化合物进行选择性催化加氢极具挑战性。仅使用非均相催化剂已经报道了将芳烃氢化为取代的四氢萘或环己醇。在本文中，我们证明了基于菲咯啉基的PN 3-钌钳催化剂将芳烃选择性氢化为相应的四氢萘或环己醇。

  DOI：

  10.1021/acscatal.7b01316

文献信息

• The oxidation of alcohols with O-iodoxybenzoic acid (IBX) in aqueous nanomicelles at room temperature
  作者：Aming Xie、Xiangxiang Zhou、Liandong Feng、Xinyu Hu、Wei Dong

  DOI：10.1016/j.tet.2014.03.047

  日期：2014.5

  GMPGS-2000, a nonionic amphiphile composed of Guerbet alcohol (2-octyldodecan-1-ol), MPEG-2000 and succinic acid, has been prepared as an effective nanomicelle forming species for the oxidation of alcohols with 2-iodoxybenzoic acid (IBX) in water at room temperature.

  GMPGS-2000是由Guerbet醇（2-辛基十二烷基-1-醇），MPEG-2000和琥珀酸组成的非离子两亲物，已被制备为有效的形成纳米胶束的物质，用于用2-碘氧基苯甲酸（IBX）氧化醇在室温下的水中。
• SBA-15-Functionalized 3-Oxo-ABNO as Recyclable Catalyst for Aerobic Oxidation of Alcohols under Metal-Free Conditions
  作者：Babak Karimi、Elham Farhangi、Hojatollah Vali、Saleh Vahdati

  DOI：10.1002/cssc.201402059

  日期：2014.9

  The nitroxyl radical 3‐oxo‐9‐azabicyclo [3.3.1]nonane‐N‐oxyl (3‐oxo‐ABNO) has been prepared using a simple protocol. This organocatalyst is found to be an efficient catalyst for the aerobic oxidation of a wide variety of alcohols under metal‐free conditions. In addition, the preparation and characterization of a supported version of 3‐oxo‐ABNO on ordered mesoporous silica SBA‐15 (SABNO) is described

  硝酰基自由基3-氧代-9-氮杂双环[3.3.1]壬烷-N-oxyl（3-oxo-ABNO）已使用简单的方案制备。已发现这种有机催化剂是在无金属条件下对多种醇进行好氧氧化的有效催化剂。此外，首次描述了在有序介孔二氧化硅SBA-15（SABNO）上支持的3-氧代ABNO的制备和表征。使用多种技术对催化剂进行了表征，包括同时热分析（STA），透射电子显微镜（TEM）和氮吸附分析。与（2,2,6,6-四甲基哌啶-1-基）氧基（TEMPO）相比，该催化剂在相同条件下几乎可以对相同范围的醇进行好氧氧化，其催化性能与其均相类似物相当，并且催化活性要好得多。反应条件。
• Half‐Sandwich Nickel(II) NHC‐Picolyl Complexes as Catalysts for the Hydrosilylation of Carbonyl Compounds: Evidence for NHC‐Nickel Nanoparticles under Harsh Reaction Conditions
  作者：Franck Ulm、Saurabh Shahane、Lai Truong‐Phuoc、Thierry Romero、Vasiliki Papaefthimiou、Matthieu Chessé、Michael J. Chetcuti、Cuong Pham‐Huu、Christophe Michon、Vincent Ritleng

  DOI：10.1002/ejic.202100371

  日期：2021.8.13

  was prepared directly by the reaction of nickelocene with 1-(2-picolyl)-3-mesityl-imidazolium bromide (1), and its PF6− derivative 2 b, by subsequent salt metathesis. X-ray diffraction studies and Variable Temperature 1H NMR experiments run with 2 a and 2 b strongly suggest the bidentate coordination of the picolyl-functionalized carbene to the nickel both in the solid state and in solution in both

  阳离子[NICP（MES-NHC-CH 2吡啶]溴复杂2一由二茂镍与1-（2-吡啶甲基）-3-三甲苯基咪唑鎓溴化物（反应直接制备1），和它的PF 6 -衍生物2 b，通过随后的盐复分解 X 射线衍射研究和变温1 H NMR 实验用2 a和2 b 运行强烈建议在两种情况下，吡啶甲基官能化卡宾与镍在固态和溶液中的双齿配位。这些数据表明后者不存在半稳定性行为，即使存在配位阴离子也是如此。两种配合物在醛氢化硅烷化中表现出相似的活性，进一步暗示了吡啶甲基官能化卡宾不存在半化能力，并且在温和条件下在没有添加剂的情况下有效地减少了广泛的醛。在酮的情况下，有效的氢化硅烷化在钾催化量的存在下才能观察到吨-丁氧基在 100 °C。动态光散射、扫描透射电子显微镜和 X 射线光电子能谱显示了在这些条件下 NHC-吡啶甲基-Ni 纳米颗粒参与的证据。
• [EN] GLYCOLATE OXIDASE INHIBITORS FOR THE TREATMENT OF DISEASE<br/>[FR] INHIBITEURS DE GLYCOLATE OXYDASE POUR LE TRAITEMENT D'UNE MALADIE
  申请人：BIOMARIN PHARM INC

  公开号：WO2020257487A1

  公开（公告）日：2020-12-24

  Described herein are compounds, methods of making such compounds, pharmaceutical compositions and medicaments containing such compounds, and methods of using such compounds to treat or prevent diseases or disorders associated with a defect in glyoxylate metabolism, for example a disease or disorder associated with the enzyme glycolate oxidase (GO) or alterations in oxalate metabolism. Such diseases or disorders include, for example, disorders of glyoxylate metabolism, including primary hyperoxaluria, that are associated with production of excessive amounts of oxalate.

  本文描述了化合物、制备这种化合物的方法、含有这种化合物的药物组合物和药物，以及使用这种化合物治疗或预防与甘氧酸代谢缺陷相关的疾病或紊乱的方法，例如与甘氧酸氧化酶（GO）或草酸代谢变化相关的疾病或紊乱。这些疾病或紊乱包括与产生过多草酸相关的甘氧酸代谢紊乱，例如原发性高草酸尿症。
• [EN] MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS<br/>[FR] ANTIBIOTIQUES MACROCYCLIQUES À LARGE SPECTRE
  申请人：RQX PHARMACEUTICALS INC

  公开号：WO2018149419A1

  公开（公告）日：2018-08-23

  Provided herein are antibacterial compounds, wherein the compounds in some embodiments have broad spectrum bioactivity. In various embodiments, the compounds act by inhibition of bacterial type 1 signal peptidase (SpsB), an essential protein in bacteria. Pharmaceutical compositions and methods for treatment using the compounds described herein are also provided.

  本文提供了抗菌化合物，其中在某些实施例中，这些化合物具有广谱生物活性。在各种实施例中，这些化合物通过抑制细菌类型1信号肽酶（SpsB）发挥作用，这是细菌中的一种必需蛋白质。还提供了使用所述化合物的药物组合物和治疗方法。

表征谱图