4'-甲基-3-联苯基羧酸 | 147404-69-1

• 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 - 苯和取代衍生物
• 中文名称: 4'-甲基-3-联苯基羧酸
• 中文别名: (R)-(?)-2-叔-丁基氨基-1-苯基乙醇；4'-甲基联苯-3-羧酸；4-甲基-3-联苯基羧酸；4’-甲基-3-联苯甲酸；-甲基联苯-3-羧酸；-甲基-3-联苯基羧酸；4-甲基联苯-3-羧酸；-甲基-3-联苯甲酸
• 英文名称: 4'-methylbiphenyl-3-carboxylic acid
• 英文别名: 3-(4-methylphenyl)benzoic acid
• CAS: 147404-69-1
• 化学式: C₁₄H₁₂O₂
• 分子量: 212.248
• InChiKey: APYJGQZXCGXMGB-UHFFFAOYSA-N

物化性质

• 沸点：
  399.4±21.0 °C(Predicted)
• 密度：
  1.156±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 危险品标志：
  Xi
• 海关编码：
  2916399090
• 危险性防范说明：
  P233,P260,P261,P264,P271,P280,P302+P352,P304,P304+P340,P305+P351+P338,P312,P321,P332+P313,P337+P313,P340,P362,P403,P403+P233,P405,P501
• 危险性描述：
  H315,H319,H335
• 储存条件：
  室温

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
4’-Methylbiphenyl-3-carboxylic acid
Product Name:
Synonyms:

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.
H315: Causes skin irritation
H319: Causes serious eye irritation
H335: May cause respiratory irritation
P261: Avoid breathing dust/fume/gas/mist/vapours/spray
Wear protective gloves/protective clothing/eye protection/face protection
P280:
P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present
and easy to do – continue rinsing
P304+P340: IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing
P405: Store locked up

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Section 3. Composition/information on ingredients.
4’-Methylbiphenyl-3-carboxylic acid
Ingredient name:
CAS number: 147404-69-1

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Section 4. First aid measures
Immediately wash skin with copious amounts of water for at least 15 minutes while removing
Skin contact:
contaminated clothing and shoes. If irritation persists, seek medical attention.
Eye contact: Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical
attention.
Inhalation: Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.
Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.
Ingestion:

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Section 5. Fire fighting measures
In the event of a fire involving this material, alone or in combination with other materials, use dry
powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
should be worn.

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Section 6. Accidental release measures
Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
standards.
Respiratory precaution: Wear approved mask/respirator
Hand precaution: Wear suitable gloves/gauntlets
Skin protection: Wear suitable protective clothing
Eye protection: Wear suitable eye protection
Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
for disposal. See section 12.
Environmental precautions: Do not allow material to enter drains or water courses.

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Section 7. Handling and storage
Handling: This product should be handled only by, or under the close supervision of, those properly qualified
in the handling and use of potentially hazardous chemicals, who should take into account the fire,
health and chemical hazard data given on this sheet.
Storage: Store in closed vessels.

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Section 8. Exposure Controls / Personal protection
Engineering Controls: Use only in a chemical fume hood.
Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

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Section 9. Physical and chemical properties
Not specified
Appearance:
Boiling point: No data
Melting point: No data
Flash point: No data
Density: No data
Molecular formula: C14H12O2
Molecular weight: 212.2

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Section 10. Stability and reactivity
Conditions to avoid: Heat, flames and sparks.
Materials to avoid: Oxidizing agents.
Possible hazardous combustion products: Carbon monoxide.

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Section 11. Toxicological information
No data.

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Section 12. Ecological information
No data.

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Section 13. Disposal consideration
Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
disposal authority, in accordance with national and regional regulations.

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Section 14. Transportation information
Non-harzardous for air and ground transportation.

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Section 15. Regulatory information
No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
Title III, Section 313.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  4'-甲基-3-联苯基羧酸 在 氯化亚砜 作用下， 反应 2.0h， 生成 4'-methyl-biphenyl-3-carbonyl chloride
  参考文献：
  名称：

  1,5-双取代四氮唑类化合物及其制备方法和应用

  摘要：

  本发明公开了1,5‑双取代四氮唑类化合物及其制备方法和应用。所述的1,5‑双取代四氮唑类化合物具有良好的抗肿瘤活性。因此，本发明还提出了所述的1,5‑双取代四氮唑类化合物或其可药用盐在预防或治疗肿瘤中的用途。本发明的提出为癌症的治疗提供了一种新的、有效的技术手段，具有广阔的应用前景。

  公开号：

  CN107778262A
• 作为产物：
  描述：

  3-(4-甲基苯基)苯甲酸乙酯 在 sodium hydroxide 作用下， 以 乙醇 、 水 为溶剂， 生成 4'-甲基-3-联苯基羧酸
  参考文献：
  名称：

  Heterocyclic derivatives in the treatment of Ischaemia and related

  摘要：

  式中A、R.sup.1、R.sup.2、R.sup.3和m的定义如规范中所述，或其药学上可接受的酸盐或N-氧化物，是对抗钙和钠通道的拮抗剂，用于治疗患有各种疾病状态的哺乳动物，如中风、癫痫、高血压、心绞痛、偏头痛、心律失常、血栓形成、栓塞，以及治疗脊柱损伤。

  公开号：

  US05428037A1

文献信息

• Discovery of selective irreversible inhibitors of B-Lymphoid tyrosine kinase (BLK)
  作者：Tiancheng Fu、Yingying Zuo、Zhenpeng Zhong、Xuan Chen、Zhengying Pan

  DOI：10.1016/j.ejmech.2021.114051

  日期：2022.2

  understood. Herein, we present the discovery of a novel series of selective and irreversible inhibitors of BLK with nanomolar potency against BLK in biochemical and cellular assays. Compound 25 demonstrated potent antiproliferative activities against several B cell lymphoma cell lines. These compounds constitute the first series of selective inhibitors developed for BLK and could help expedite the exploration

  B 淋巴酪氨酸激酶 (BLK) 是 SRC 家族非受体酪氨酸激酶的成员，参与 B 细胞受体 (BCR) 信号通路和 B 细胞发育和功能。BLK 的失调与自身免疫性疾病和癌症有关。然而，缺乏用于 BLK 的良好工具化合物，并且对 BLK 介导生理和病理过程的分子机制知之甚少。在此，我们展示了一系列新型选择性和不可逆 BLK 抑制剂的发现，这些抑制剂在生化和细胞分析中具有纳摩尔级的 BLK 效力。化合物25证明了对几种 B 细胞淋巴瘤细胞系的有效抗增殖活性。这些化合物构成了为 BLK 开发的第一批选择性抑制剂，有助于加快 BLK 功能的探索。
• A Linker for the Solid-Phase Synthesis of Hydroxamic Acids and Identification of HDAC6 Inhibitors
  作者：Claus G. Bang、Jakob F. Jensen、Emil O’Hanlon Cohrt、Lasse B. Olsen、Saba G. Siyum、Kim T. Mortensen、Tine Skovgaard、Jens Berthelsen、Liang Yang、Michael Givskov、Katrine Qvortrup、Thomas E. Nielsen

  DOI：10.1021/acscombsci.7b00068

  日期：2017.10.9

  readily available and nonintegral hydroxylamine linkers for the routine solid-phase synthesis of hydroxamic acids. The developed protocols enable the efficient synthesis and release of a wide range of hydroxamic acids from various resins, relying on high control and flexibility with respect to reagents and synthetic processes. A trityl-based hydroxylamine linker was used to synthesize a library of peptide

  我们在此提出了广泛有用的，容易获得的和非整体的羟胺连接基，用于羟肟酸的常规固相合成。所开发的方案能够有效地从各种树脂合成和释放各种异羟肟酸，这取决于试剂和合成方法的高度控制和灵活性。基于三苯甲基的羟胺接头用于合成肽异羟肟酸的文库。使用基于化学发光的测定法检查了化合物对7种HDAC酶亚型的抑制作用。
• PIPERIDIN-4-YL-AZETIDINE DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS
  申请人：Connolly Peter J.

  公开号：US20130102584A1

  公开（公告）日：2013-04-25

  Disclosed are compounds, compositions and methods for treating various diseases, syndromes, conditions and disorders, including pain. Such compounds, and enantiomers, diastereomers, and pharmaceutically acceptable salts thereof, are represented by Formula (I) as follows: wherein Y, Z, and R are defined herein.

  揭示了用于治疗各种疾病、综合症、症状和障碍的化合物、组合物和方法，包括疼痛。这些化合物及其对映体、二对映体和其药用可接受盐如下所示： 其中Y、Z和R在此处定义。
• DI-AZETIDINYL DIAMIDE AS MONOACYLGLYCEROL LIPASE INHIBITORS
  申请人：Connolly Peter J.

  公开号：US20120058986A1

  公开（公告）日：2012-03-08

  Disclosed are compounds, compositions and methods for treating various diseases, syndromes, conditions and disorders, including pain. Such compounds are represented by Formula (I) as follows: wherein Q and Z are defined herein.

  揭示了用于治疗各种疾病、综合症、症状和障碍的化合物、组合物和方法，包括疼痛。这些化合物由以下式（I）表示： 其中Q和Z在此处定义。
• A highly efficient catalyst of a nitrogen-based ligand for the Suzuki coupling reaction at room temperature under air in neat water
  作者：Shiwen Liu、Meiyun Lv、Daoan Xiao、Xiaogang Li、Xiuling Zhou、Mengping Guo

  DOI：10.1039/c3ob42517g

  日期：——

  Glycine is used to prepare an air-stable and water-soluble catalyst for the Suzuki–Miyaura reaction. In the presence of 0.1% [PdCl₂(NH₂CH₂COOH)₂], excellent catalytic activity is observed at room temperature under air in neat water.

  甘氨酸被用来制备一种空气稳定且水溶性的催化剂，用于Suzuki–Miyaura反应。在0.1% [PdCl₂(NH₂CH₂COOH)₂]存在下，在纯净水中，在室温下观察到优异的催化活性。