2'-硝基-4-联苯基羧酸 | 3215-92-7

• 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'-硝基-4-联苯基羧酸
• 中文别名: 4-(2-硝基苯基)苯甲酸
• 英文名称: 2'-nitrobiphenyl-4-carboxylic acid
• 英文别名: 2'-nitro-biphenyl-4-carboxylic acid；2'-Nitro-biphenyl-4-carbonsaeure；4-(2-nitrophenyl)benzoic Acid
• CAS: 3215-92-7
• 化学式: C₁₃H₉NO₄
• 分子量: 243.219
• InChiKey: XKGFCCZEXVIRQH-UHFFFAOYSA-N

物化性质

• 熔点：
  250 °C
• 沸点：
  434.3±28.0 °C(Predicted)
• 密度：
  1.358±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  83.1
• 氢给体数：
  1
• 氢受体数：
  4

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: 4-(2-Nitrophenyl)benzoic acid
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: 4-(2-Nitrophenyl)benzoic acid
CAS number: 3215-92-7

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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: C13H9NO4
Molecular weight: 243.2

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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, nitrogen oxides.

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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'-硝基-4-联苯基羧酸 在 palladium on activated charcoal 吡啶 、 sodium hydroxide 、 氯化亚砜 、 氢气 作用下， 以 四氢呋喃 、 氯仿 、 溶剂黄146 为溶剂， 生成
  参考文献：
  名称：

  Muelller,H.K.; Mueller,H.G., Journal fur praktische Chemie (Leipzig 1954), 1970, vol. 312, p. 78 - 89

  摘要：

  DOI：
• 作为产物：
  描述：

  1-(2'-硝基[1,1'-联苯]-4-基)乙烷-1-酮 在 sodium hypobromide 作用下， 以 1,4-二氧六环 为溶剂， 生成 2'-硝基-4-联苯基羧酸
  参考文献：
  名称：

  一些取代的联苯-4-羧酸，4-联苯基乙酸和4-氨基联苯的合成

  摘要：

  描述了一系列取代的联苯-4-羧酸和4-氨基联苯的合成。包括母体联苯-4-羧酸，4-联苯基乙酸和三种取代的4-联苯基乙酸的制剂。

  DOI：

  10.1039/j39660000840

文献信息

• [EN] HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES<br/>[FR] AGENTS RECEPTEURS DE L'HISTAMINE H3, PREPARATION ET UTILISATIONS THERAPEUTIQUES
  申请人：LILLY CO ELI

  公开号：WO2005097740A1

  公开（公告）日：2005-10-20

  The present invention discloses novel compounds of Formula (I) or pharmaceutically acceptable salts thereof, which have histamine-H3 receptor antagonist or inverse agonist activity, as well as methods for preparing such compounds. In another embodiment, the invention discloses pharmaceutical compositions comprising compounds of Formula (I) as well as methods of using them to treat obesity, cognitive deficiencies, narcolepsy, and other histamine H3 receptor-related diseases

  本发明公开了具有组合物(I)或其药学上可接受的盐的新颖化合物，其具有组胺H3受体拮抗剂或逆激动剂活性，以及制备这种化合物的方法。在另一实施例中，本发明公开了包含组合物(I)的药物组合物，以及使用它们治疗肥胖、认知缺陷、嗜睡症和其他组胺H3受体相关疾病的方法。
• HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES
  申请人：Beavers Lisa Selsam

  公开号：US20100048580A1

  公开（公告）日：2010-02-25

  The present invention discloses novel compounds of Formula (I) or pharmaceutically acceptable salts thereof, which have histamine-H3 receptor antagonist or inverse agonist activity, as well as methods for preparing such compounds. In another embodiment, the invention discloses pharmaceutical compositions comprising compounds of Formula (I) as well as methods of using them to treat obesity, cognitive deficiencies, narcolepsy, and other histamine H3 receptor-related diseases

  本发明公开了化合物(I)的新颖化合物或其药学上可接受的盐，其具有组胺H3受体拮抗剂或逆激动剂活性，以及制备这种化合物的方法。在另一实施方案中，本发明公开了包含化合物(I)的药物组合物，以及使用它们治疗肥胖、认知缺陷、嗜睡症和其他组胺H3受体相关疾病的方法。
• [EN] ALKANE DIOL DERIVATIVES AS THERAPEUTIC AGENTS FOR THE TREATMENT OF BONE CONDITIONS<br/>[FR] DERIVES D'ALCANE-DIOLS UTILISES COMME AGENTS THERAPEUTIQUES POUR LE TRAITEMENT DE PATHOLOGIES OSSEUSES
  申请人：UNIV ABERDEEN

  公开号：WO2003037321A1

  公开（公告）日：2003-05-08

  The present invention pertains to certain alkane diol derivatives (including, e.g., mono- and di-esters) of the formula R1-O-A-O-R2, wherein: A is a C¿2-10?alkylene group; R?1¿ is independently a first hydroxy protecting group (e.g., an ester group); and, R2 is independently -H or a second hydroxy protecting group (e.g., an ester group); and pharmaceutically acceptable salts, solvates, amides, esters, ethers, chemically protected forms, and prodrug thereof, which, inter alia, inhibit osteoclast survival, formation, and/or activity; and/or inhibit bone resorption. The present invention also pertains to pharmaceutical compositions comprising such compounds, and the use of such compounds and compositions, both in vitro and in vivo, to inhibit osteoclast survival, formation, and/or activity, and to inhibit conditions mediated by osteoclasts and/or characterised by bone resorption, such as osteoporosis, rheumatoid arthritis, cancer associated bone disease, Paget's disease, and the like; and/or conditions associated with inflammation or activation of the immune system.

  本发明涉及某些烷基二醇衍生物（包括但不限于单酯和二酯），其化学式为R1-O-A-O-R2，其中：A是C2-10烷基基团；R1独立地是第一羟基保护基（例如，酯基）；R2独立地是-H或第二羟基保护基（例如，酯基）；以及其药学上可接受的盐、溶剂化物、酰胺、酯、醚、化学保护形式和前药，它们可以抑制破骨细胞的存活、形成和/或活性；并且/或抑制骨吸收。本发明还涉及包括这样的化合物的制药组合物，以及这样的化合物和组合物的使用，无论是在体外还是在体内，以抑制破骨细胞的存活、形成和/或活性，并抑制由破骨细胞介导或以骨吸收为特征的疾病，例如骨质疏松症、类风湿性关节炎、与癌症相关的骨疾病、帕吉特病等；以及与炎症或免疫系统激活有关的疾病。
• Alkane diol derivatives as therapeutic agents for the treatment of bone conditions
  申请人：——

  公开号：US20040254151A1

  公开（公告）日：2004-12-16

  The present invention pertains to certain alkane diol derivatives (including, e.g., mono- and di-esters) of the formula R 1 —O-A-O—R 2 , wherein: A is a C 2-10 alkylene group; R 1 is independently a first hydroxy protecting group (e.g., an ester group); and, R 2 is independently —H or a second hydroxy protecting group (e.g., an ester group); and pharmaceutically acceptable salts, solvates, amides, esters, ethers, chemically protected forms, and prodrug thereof, which, inter alia, inhibit osteoclast survival, formation, and/or activity; and/or inhibit bone resorption. The present invention also pertains to pharmaceutical compositions comprising such compounds, and the use of such compounds and compositions, both in vitro and in vivo, to inhibit osteoclast survival, formation, and/or activity, and to inhibit conditions mediated by osteoclasts and/or characterised by bone resorption, such as osteoporosis, rheumatoid arthritis, cancer associated bone disease, Paget's disease, and the like; and/or conditions associated with inflammation or activation of the immune system.

  本发明涉及某些烷基二醇衍生物（包括例如单酯和双酯），其化学式为R1-O-A-O-R2，其中：A是C2-10烷基链；R1是独立的第一羟基保护基（例如酯基）；R2是独立的-H或第二羟基保护基（例如酯基）；以及其医药上可接受的盐、溶剂化物、酰胺、酯、醚、化学保护形式和前药等，其中，它们可以抑制破骨细胞的存活、形成和/或活性；并且/或抑制骨吸收。本发明还涉及包含这样的化合物的制药组合物，以及这样的化合物和组合物的使用，无论是体内还是体外，以抑制破骨细胞的存活、形成和/或活性，并抑制由破骨细胞介导或以骨吸收为特征的疾病，例如骨质疏松症、类风湿性关节炎、与癌症相关的骨疾病、帕吉特病等，以及与炎症或免疫系统激活相关的疾病。
• Modulators or Alpha7 Nicotinic Acetylcholine Receptors and Therapeutic Uses Thereof
  申请人：Gaviraghi Giovanni

  公开号：US20080275028A1

  公开（公告）日：2008-11-06

  The present invention relates to compounds with α7 nAChR agonistic activity, processes for their preparation, pharmaceutical compositions containing the same and the use thereof for the treatment of neurological, psychiatric, cognitive, immunological and inflammatory disorders.

  本发明涉及具有α7 nAChR激动活性的化合物，其制备方法，含有该化合物的制药组合物以及用于治疗神经、精神、认知、免疫和炎症性疾病的用途。