(4-噻吩-2-基苯基)甲醇 | 81443-44-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: (4-噻吩-2-基苯基)甲醇
• 中文别名: 4-(2-噻吩基)苯乙醇
• 英文名称: 4-(2-thienyl)phenylmethanol
• 英文别名: 2-(4-Hydroxymethylphenyl)thiophene；(4-Thien-2-ylphenyl)methanol；(4-thiophen-2-ylphenyl)methanol
• CAS: 81443-44-9
• 化学式: C₁₁H₁₀OS
• mdl: MFCD06203037
• 分子量: 190.266
• InChiKey: KHZSWSHUIYOMSH-UHFFFAOYSA-N

物化性质

• 熔点：
  112 °C
• 沸点：
  338.5±30.0 °C(Predicted)
• 密度：
  1.204±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  48.5
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2934999090

SDS

Name:	(4-Thien-2-ylphenyl)methanol Material Safety Data Sheet
Synonym:	Benzenemethanol, 4-(2-thienyl)-
CAS:	81443-44-9

Section 1 - Chemical Product MSDS Name:(4-Thien-2-ylphenyl)methanol Material Safety Data Sheet
Synonym:Benzenemethanol, 4-(2-thienyl)-

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
81443-44-9	(4-Thien-2-ylphenyl)methanol	>97	unlisted

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:
Harmful if swallowed. May cause irritation of the digestive tract.
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:
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:

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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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
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# 81443-44-9: 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
Color: Brown
Odor: Without to slight
pH: Not available.
Vapor Pressure: 3.8E-005 mm Hg @ 25 deg C
Viscosity: Not available.
Boiling Point: 311 deg C
Freezing/Melting Point: 60 - 61 deg C
Autoignition Temperature: Not available.
Flash Point: 115 deg C ( 239.00 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: Negligible.
Specific Gravity/Density:
Molecular Formula: C11H10OS
Molecular Weight: 190.26

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Dust generation.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, oxides of sulfur, carbon dioxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 81443-44-9 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
(4-Thien-2-ylphenyl)methanol - 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
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 22 Do not breathe dust.
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.
WGK (Water Danger/Protection)
CAS# 81443-44-9: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 81443-44-9 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 81443-44-9 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：

  (4-噻吩-2-基苯基)甲醇 在 manganese(IV) oxide 作用下， 以 氯仿 为溶剂， 反应 1.0h， 以100%的产率得到4-(2-噻吩基)苯甲醛
  参考文献：
  名称：

  酰基辅酶A的抑制剂：胆固醇O-酰基转移酶。2.新系列的N-烷基-N-（杂芳基取代的苄基）-N'-芳基脲的鉴定和结构-活性关系。

  摘要：

  制备了一系列N-烷基-N-（杂芳基取代的苄基）-N'-芳基脲和相关的衍生物（用2和3表示），并对其在体外和体外抑制酰基辅酶A：胆固醇O-酰基转移酶的能力进行了评估。降低体内胆固醇喂养大鼠的血浆胆固醇水平。在这些新型化合物中，3型系列更为出色。该三取代脲的N-苄基上的吡唑-3-基（即3，Ar1 =吡唑-3-基）被鉴定为杂芳环，提供了良好的生物活性。通过优化与N-烷基（R）和N-芳基（Ar3）的组合的结果，化合物3aq（FR186054）被确定为一种新型的口服有效ACAT抑制剂，在胆固醇喂养的大鼠中表现出有效的体外ACAT抑制活性（兔子肠道微粒体IC50 = 99 nM）和出色的降胆固醇作用，而与给药方式无关（ED50 = 0.046 mg / kg，通过饮食给药，ED50 = 0. 44 mg /通过在PEG400载体中的管饲法施用1kg）。此外，一项毒理学研究表明，以10 mg / kg

  DOI：

  10.1021/jm9800853
• 作为产物：
  描述：

  4-溴苄醇 、 2-三丁基甲锡烷基噻吩 在 四(三苯基膦)钯 作用下， 以 xylene 为溶剂， 反应 1.0h， 以60%的产率得到(4-噻吩-2-基苯基)甲醇
  参考文献：
  名称：

  酰基辅酶A的抑制剂：胆固醇O-酰基转移酶。2.新系列的N-烷基-N-（杂芳基取代的苄基）-N'-芳基脲的鉴定和结构-活性关系。

  摘要：

  制备了一系列N-烷基-N-（杂芳基取代的苄基）-N'-芳基脲和相关的衍生物（用2和3表示），并对其在体外和体外抑制酰基辅酶A：胆固醇O-酰基转移酶的能力进行了评估。降低体内胆固醇喂养大鼠的血浆胆固醇水平。在这些新型化合物中，3型系列更为出色。该三取代脲的N-苄基上的吡唑-3-基（即3，Ar1 =吡唑-3-基）被鉴定为杂芳环，提供了良好的生物活性。通过优化与N-烷基（R）和N-芳基（Ar3）的组合的结果，化合物3aq（FR186054）被确定为一种新型的口服有效ACAT抑制剂，在胆固醇喂养的大鼠中表现出有效的体外ACAT抑制活性（兔子肠道微粒体IC50 = 99 nM）和出色的降胆固醇作用，而与给药方式无关（ED50 = 0.046 mg / kg，通过饮食给药，ED50 = 0. 44 mg /通过在PEG400载体中的管饲法施用1kg）。此外，一项毒理学研究表明，以10 mg / kg

  DOI：

  10.1021/jm9800853

文献信息

• AMINO ACID COMPOUNDS
  申请人：Ohmori Yutaka

  公开号：US20090298894A1

  公开（公告）日：2009-12-03

  [Problem] To provide novel compounds that are S1P1 receptor agonists and exhibit an immunosuppressive activities by inducing lymphocyte sequestration in secondary lymphoid tissues. In addition, to provide a pharmaceutical agent which comprises the compounds as an effective component, in particular to provide a therapeutic and/or prophylactic agent for an autoimmune disease and the like. [Solving Means] Amino acid compounds that are represented by the following Formula (1) are provided

  提供一种新型化合物，它们是S1P1受体激动剂，并通过在次级淋巴组织中诱导淋巴细胞滞留而表现出免疫抑制活性。此外，提供一种包含这些化合物作为有效成分的药物制剂，特别是提供用于自身免疫疾病等疾病的治疗和/或预防药物。提供以下Formula (1)所代表的氨基酸化合物。
• [EN] SUBSTITUTED NICOTINOYLCARBAMATES AS PESTICIDES<br/>[FR] NICOTINOYLCARBAMATES SUBSTITUES UTILISES COMME PESTICIDES
  申请人：BAYER CROPSCIENCE AG

  公开号：WO2005047255A1

  公开（公告）日：2005-05-26

  Novel nicotinoylcarbamates represented by the general formula (I) wherein W, R1, R2, W and m are as defined in the specification, their use as pesticides, and processes for their preparation are described.

  小说尼古丁酰氨基甲酸酯的一般公式（I）代表如规范中定义的W、R1、R2、W和m，其作为杀虫剂的用途，以及它们的制备方法被描述。
• ISOXAZOLIDINE DERIVATIVES
  申请人：GHIDINI Eleonora

  公开号：US20120238531A1

  公开（公告）日：2012-09-20

  Anti-inflammatory and antiallergic compounds of the glucocorticosteroid series according to formula (I) defined herein are useful for treating diseases of the respiratory tract characterized by airway obstruction.

  根据此处定义的公式(I)，糖皮质类固醇系列的抗炎和抗过敏化合物对于治疗呼吸道疾病特别有效，这些疾病以气道阻塞为特征。
• [EN] PIPERAZINE COMPOUNDS AS INHIBITORS OF MMP OR TNF<br/>[FR] COMPOSES DE PIPERAZINE INHIBITEURS DE METALLOPROTEASE MATRICIELLE (MMP) OU DE TNF
  申请人：FUJISAWA PHARMACEUTICAL CO., LTD.

  公开号：WO1998027069A1

  公开（公告）日：1998-06-25

  (EN) A compound of formula (I) wherein A is a sulfonyl or a carbonyl; R1 is an optionally substituted aryl, an optionally substituted heterocyclic group, an optionally substituted lower alkyl or an optionally substituted lower alkenyl; R2 is a hydrogen, an optionally substituted lower alkyl, an optionally substituted aryl or an optionally substituted heterocyclic group; R3 is an optionally substituted lower alkyl, an optionally substituted lower alkoxy, an optionally substituted aryloxy, an optionally substitued lower alkenyl, an optionally substituted aryl, an optionally substituted heterocyclic group or an optionally substitued amino; R4 is a hydrogen, an optionally substituted lower alkyl, an optionally substituted aryl or an optionally substituted heterocyclic group; R5 is a hydrogen, an optionally substituted lower alkyl, an optionally substituted aryl or an optionally substituted heterocyclic group; and R10 is a hydroxy or a protected hydroxy, and a pharmaceutically acceptable salt thereof. The compound of the present invention is useful as a medicament for prophylactic and therapeutic treatment of MMP- or TNF$g(a)-mediated diseases.(FR) Composé de la formule (I) dans laquelle A est un sulfuryle ou un carbonyle; R1 est un aryle éventuellement substitué, un groupe hétérocyclique éventuellement substitué, un alkyle inférieur éventuellement substitué ou un alcényle inférieur éventuellement substitué; R2 est un hydrogène, un alkyle inférieur éventuellement substitué, un aryle éventuellement substitué ou un groupe hétérocyclique éventuellement substitué; R3 est un alkyle inférieur éventuellement substitué, un alkoxy inférieur éventuellement substitué, un aryloxy éventuellement substitué, un alcényle inférieur éventuellement substitué, un aryle éventuellement substitué ou un amino éventuellement substitué; R4 est un hydrogène, un alkyle inférieur éventuellement substitué, un aryle éventuellement substitué ou un groupe hétérocyclique éventuellement substitué ou un groupe hétérocyclique éventuellement substitué, R5 est un hydrogène, un alkyle inférieur éventuellement substitué, un aryle éventuellement substitué ou un groupe hétérocyclique éventuellement substitué; et R10 est un hydroxy ou un hydroxy protégé, et un sel pharmaceutiquement acceptable de ce composé. Ce composé est utile comme médicament pour le traitement préventif et curatif des maladies induites par MMP ou TNF$g(a).

  化合物的化学式为(I)，其中A为磺酰基或羰基；R1为可选取代的芳基，可选取代的杂环基，可选取代的低碳基或可选取代的低碳烯基；R2为氢，可选取代的低碳基，可选取代的芳基或可选取代的杂环基；R3为可选取代的低碳基，可选取代的低碳氧基，可选取代的芳氧基，可选取代的低碳烯基，可选取代的芳基，可选取代的杂环基或可选取代的氨基；R4为氢，可选取代的低碳基，可选取代的芳基或可选取代的杂环基；R5为氢，可选取代的低碳基，可选取代的芳基或可选取代的杂环基；R10为羟基或受保护的羟基，并且其药学上可接受的盐。该化合物可用作MMP或TNFα介导疾病的预防和治疗药物。
• Piperazine compounds as inhibitors of MMP or TNF
  申请人：FUJISAWA PHARMACEUTICAL CO., LTD.

  公开号：US20030060473A1

  公开（公告）日：2003-03-27

  A compound of formula (I) wherein A is a sulfonyl or a carbonyl; R 1 is an optionally substituted aryl, an optionally substituted heterocyclic group, an optionally substituted lower alkyl or an optionally substituted lower alkenyl; R 2 is a hydrogen, an optionally substituted lower alkyl, an optionally substituted aryl or an optionally substituted heterocyclic group; R 3 is an optionally substituted lower alkyl, an optionally substituted lower alkoxy, an optionally substituted aryloxy, an optionally substituted lower alkenyl, an optionally substituted aryl, an optionally substituted heterocyclic group or an optionally substituted amino; R 4 is a hydrogen, an optionally substituted lower alkyl, an optionally substituted aryl or an optionally substituted heterocyclic group; R 5 is a hydrogen, an optionally substituted lower alkyl, an optionally substituted aryl or an optionally substituted heterocyclic group; and R 10 is a hydroxy or a protected hydroxy, and a pharmaceutically acceptable salt thereof. The compound of the present invention is useful as a medicament for prophylactic and therapeutic treatment of MMP-or TNF&agr;-medicated diseases.

  化合物公式（I）其中A是磺酰基或羰基；R1是可选择取代的芳基、可选择取代的杂环基团、可选择取代的低级烷基或可选择取代的低级烯基；R2是氢、可选择取代的低级烷基、可选择取代的芳基或可选择取代的杂环基团；R3是可选择取代的低级烷基、可选择取代的低级烷氧基、可选择取代的芳氧基、可选择取代的低级烯基、可选择取代的芳基、可选择取代的杂环基团或可选择取代的氨基；R4是氢、可选择取代的低级烷基、可选择取代的芳基或可选择取代的杂环基团；R5是氢、可选择取代的低级烷基、可选择取代的芳基或可选择取代的杂环基团；R10是羟基或保护羟基，以及其药学上可接受的盐。本发明的化合物可用作预防和治疗MMP或TNF-α介导疾病的药物。