2-甲基-[1,1-联苯]-4-羧酸甲酯 | 892843-59-3

• 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: 2-甲基-[1,1-联苯]-4-羧酸甲酯
• 英文名称: 2-methyl-biphenyl-4-carboxylic acid methyl ester
• 英文别名: methyl 2-methyl-[1,1′-biphenyl]-4-carboxylate；methyl 4-phenyl-3-methylbenzoate；Methyl 2-methyl-[1,1'-biphenyl]-4-carboxylate；methyl 3-methyl-4-phenylbenzoate
• CAS: 892843-59-3
• 化学式: C₁₅H₁₄O₂
• 分子量: 226.275
• InChiKey: AZRDKIMMTUWBOS-UHFFFAOYSA-N

物化性质

• 沸点：
  339.9±21.0 °C(Predicted)
• 密度：
  1.083±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2916399090

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: Methyl 2-methylbiphenyl-4-carboxylate
Synonyms:

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.

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Section 3. Composition/information on ingredients.
Ingredient name: Methyl 2-methylbiphenyl-4-carboxylate
CAS number: 892843-59-3

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Section 4. First aid measures
Skin contact: Immediately wash skin with copious amounts of water for at least 15 minutes while removing
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.
Ingestion: Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.

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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.
Store in closed vessels.
Storage:

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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
Appearance: Not specified
Boiling point: No data
No data
Melting point:
Flash point: No data
Density: No data
Molecular formula: C15H14O2
Molecular weight: 226.3

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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：

  2-甲基-[1,1-联苯]-4-羧酸甲酯 在 lithium aluminium tetrahydride 、 三溴化磷 作用下， 以 四氢呋喃 为溶剂， 反应 1.67h， 生成 4-bromomethyl-2-methyl-biphenyl
  参考文献：
  名称：

  [EN] ANTIPROLIFERATIVE BENZO [B] AZEPIN- 2 - ONES
  [FR] BENZO[B]AZÉPIN-2-ONES INHIBITRICES DE LA PROLIFÉRATION

  摘要：

  公开了公式(I)的化合物或其药物可接受的盐，其中W、X、Y、Z、R1、R2、R3和R4在本申请中有所描述，以及使用所述化合物治疗癌症的方法。

  公开号：

  WO2014009495A1
• 作为产物：
  描述：

  α-溴代肉桂醛 在 三乙烯二胺 、 4-二甲氨基吡啶 、 caesium carbonate 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 18.0h， 生成 2-甲基-[1,1-联苯]-4-羧酸甲酯
  参考文献：
  名称：

  α-溴肉桂醛的Morita-Baylis-Hillman加合物通过[5+1]环化策略合成1,3,4-三取代苯

  摘要：

  以区域选择性方式构建适当官能化的苯环在有机合成中很重要。Morita-Baylis-Hillman (MBH) 加合物已被用作用于此目的的有用起始材料。已经报道了许多方法，包括 [4+2] 环加成、6π-电环化、[3+3] 环化和连续 [3+1+2] 环化协议。在我们最近使用肉桂醛的 MBH 加合物的研究中，我们推断出 1,3,4-三取代苯 3 的合成可以通过 [5+1] 环化方案从 α-溴肉桂醛的 MBH 加合物的乙酸酯通过如方案 1 所示，伯硝基烷烃的顺序 SN20 反应、分子内 1,6 共轭加成和 HBr 和 HNO2 的消除。因此，起始材料 1a-d 由 α-溴肉桂醛制备，如方案 2 所示。MBH 反应在 1,4-二氮杂双环[2.2.2] 辛烷 (DABCO) 存在下进行，以良好至中等收率 (45–83%) 生成相应的 MBH 加合物，并且乙酰化后 (Ac2O/DMAP) 以良好的产率

  DOI：

  10.1002/bkcs.10577

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。
• Palladium-Catalyzed Alkynylation of Morita–Baylis–Hillman Carbonates with (Triisopropylsilyl)acetylene on Water
  作者：Yangxiong Li、Li Liu、Delong Kong、Dong Wang、Weichun Feng、Tao Yue、Chaojun Li

  DOI：10.1021/acs.joc.5b00728

  日期：2015.6.19

  Direct alkynylation of Morita–Baylis–Hillman carbonates with (triisopropylsilyl)acetylene catalyzed by a Pd(OAc)2–NHC complex was developed “on water” to give the corresponding 1,4-enynes. The significant effects of water amount in the solvent on further transformations of 1,4-enynes were investigated.

  由Pd（OAc）2 -NHC络合物催化的森田-贝利斯-希尔曼碳酸盐与（三异丙基甲硅烷基）乙炔的直接烷基化反应在水上生成相应的1,4-炔烃。研究了溶剂中水量对1,4-炔烃进一步转化的显着影响。
• MCH receptor antagonists
  申请人：Eli Lilly and Company

  公开号：US07838543B2

  公开（公告）日：2010-11-23

  The present invention relates to a melanin concentrating hormone antagonist compound of formula (I); wherein Ar1, L1, R1, q, X, R2, R3, R4, and R5 are as defined, or a pharmaceutically acceptable salt, solvate, or enantiomer thereof useful in the treatment, prevention or amelioration of symptoms associated with obesity and related diseases.

  本发明涉及一种公式(I)的黑色素浓集激素拮抗剂化合物；其中Ar1，L1，R1，q，X，R2，R3，R4和R5如定义所述，或其药学上可接受的盐，溶剂化合物或对映体，用于治疗、预防或改善与肥胖和相关疾病相关的症状。
• ANTIPROLIFERATIVE BENZO [B] AZEPIN-2-ONES
  申请人：Hoffmann-La Roche Inc.

  公开号：US20150353499A1

  公开（公告）日：2015-12-10

  Disclosed are compounds of Formula (I) or pharmaceutically acceptable salts thereof, wherein W, X, Y, Z, R 1 , R 2 , R 3 and R 4 are described in this application, and methods of using said compounds in the treatment of cancer.

  本发明涉及化合物I式或其药学上可接受的盐，其中W、X、Y、Z、R1、R2、R3和R4在本申请中有所描述，并且使用该化合物在癌症治疗中的方法。
• NOVEL MCH RECEPTOR ANTAGONISTS
  申请人：Beck James Peter

  公开号：US20090170913A1

  公开（公告）日：2009-07-02

  The present invention relates to a melanin concentrating hormone antagonist compound of formula (I); wherein Ar 1 , L 1 , R 1 , q, X, R 2 , R 3 , R 4 , and R 5 are as defined, or a pharmaceutically acceptable salt, solvate, or enantiomer thereof useful in the treatment, prevention or amelioration of symptoms associated with obesity and related diseases.

  本发明涉及一种公式(I)的黑色素浓集激素拮抗剂化合物;其中Ar1，L1，R1，q，X，R2，R3，R4和R5如定义，或其药学上可接受的盐，溶剂合物或对映体，用于治疗，预防或改善与肥胖和相关疾病相关的症状。