2 -(5-(1-三苯甲基-1H-四氮唑)苯硼酸 | 143722-25-2

• 物质功能分类: 医药中间体 - 杂环化合物
• 分子结构分类: 有机化合物 - 苯类化合物 - 三苯基化合物
• 中文名称: 2 -(5-(1-三苯甲基-1H-四氮唑)苯硼酸
• 中文别名: 2-(1-三苯甲基-1H-四氮唑-5-基)苯硼酸；2-(5-(1-三苯甲基-1H-四氮唑)苯硼酸；2-(2'-三苯基四唑基)苯硼酸
• 英文名称: 2-<2'-(triphenylmethyl)-2'H-tetrazol-5-yl>phenylboronic acid
• 英文别名: 5-(2'-boronophenyl)-2-(triphenylmethyl)-2H-tetrazole；2-(2'-triphenylmethyltetrazole-5-yl)phenylboronic acid；2-(2'-Triphenylmethyl-2'H-tetrazol-5'-yl)-phenylboronic acid；[2-[2-(Triphenylmethyl)-2H-tetrazol-5-yl]phenyl]boronic acid；[2-(2-trityltetrazol-5-yl)phenyl]boronic acid
• CAS: 143722-25-2
• 化学式: C₂₆H₂₁BN₄O₂
• 分子量: 432.289
• InChiKey: LFUCLSFLKKJFQH-UHFFFAOYSA-N

物化性质

• 熔点：
  146-149°C (dec.)
• 沸点：
  685.2±65.0 °C(Predicted)
• 密度：
  1.20
• 溶解度：
  DMSO（少量）、甲醇（少量）

计算性质

• 辛醇/水分配系数(LogP)：
  2.86
• 重原子数：
  33
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.04
• 拓扑面积：
  84.1
• 氢给体数：
  2
• 氢受体数：
  5

安全信息

• 危险等级：
  IRRITANT
• 储存条件：
  室温

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: [2-[2-(Triphenylmethyl)-2h-tetrazol-5-yl]phenyl]boronic 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: [2-[2-(Triphenylmethyl)-2h-tetrazol-5-yl]phenyl]boronic acid
CAS number: 143722-25-2

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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, under −20◦C.
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: C26H21BN4O2
Molecular weight: 432.3

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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, 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 -(5-(1-三苯甲基-1H-四氮唑)苯硼酸 在 potassium phosphate 、 palladium diacetate 、 三苯基膦 、 sodium hydroxide 、 偶氮二甲酸二乙酯 作用下， 以 四氢呋喃 、 N,N-二甲基乙酰胺 、 甘油 为溶剂， 反应 22.0h， 生成 奥美沙坦酯
  参考文献：
  名称：

  一种奥美沙坦酯的制备方法

  摘要：

  本发明公开了一种奥美沙坦酯的制备方法，尤其是本发明的制备方法中利用4‑溴苯甲醛为起始原料，与2‑(2’‑三苯甲基四唑‑5‑基)苯基硼酸(Ⅲ)经过Suzuki偶联反应，NaBH4还原得到奥美沙坦酯中间体N‑三苯甲基‑5‑(4’‑羟甲基联苯‑2‑基)四唑(Ⅳ)，该中间体(Ⅳ)与2‑丙基‑4‑(1‑羟基‑1‑甲基乙基)咪唑‑5‑羧酸乙酯反应直接进行反应得到化合物Ⅵ，再经过水解、酯化、脱保护得到奥美沙坦酯。与现有技术相比，该制备方法原料易得，副产物少，缩短反应路线，反应条件温和，操作简单，产品总收率提高，适合工业化生产。

  公开号：

  CN105906614A
• 作为产物：
  描述：

  5-苯基-2-三苯基甲基四唑 在 正丁基锂 、 硼酸三异丙酯 作用下， 反应 2.5h， 生成 2 -(5-(1-三苯甲基-1H-四氮唑)苯硼酸
  参考文献：
  名称：

  PREPARATION AND UTILITY OF SUBSTITUTED PHENYLTETRAZOLES

  摘要：

  本文披露了化合物I的取代苯基四唑，其制备方法，药物组合物以及其使用方法。

  公开号：

  US20080132555A1

文献信息

• Oxazole compounds useful as PGE2 agonists and antagonists
  申请人：Fujisawa Pharmaceutical Co., Ltd.

  公开号：US06245790B1

  公开（公告）日：2001-06-12

  Azole compounds of the formula: wherein R1 is lower alkyl substituted with carboxy, etc., R2 is hydrogen or lower alkyl, R3 is aryl, etc. R4 is aryl, etc. Q is  etc., and X is O, NH or S, and its salt, which are useful as medicament.

  Azole化合物具有以下公式： 其中R1是取代有羧基的低级烷基等， R2是氢或低级烷基， R3是芳基等。 R4是芳基等。 Q是  等，以及 X是O，NH或S， 及其盐，可用作药物。
• Process for preparing biphenyltetrazole compounds
  申请人：E. I. Du Pont de Nemours and Company

  公开号：US05310928A1

  公开（公告）日：1994-05-10

  Method for the preparing biphenyltetrazole compounds which are angiotensin II receptor antagonists or which are useful intermediates to prepare angiotensin II receptor antagonists. An illustrative biphenyl tetrazole compound is 2-n-butyl-4-chloro-1-[(2'-(tetrazol-5-yl)-1,1'-biphenyl-4-yl)methyl]-1H-im idazole-5-methanol, potassium salt.

  制备双苯基四唑化合物的方法，这些化合物是血管紧张素II受体拮抗剂，或者是制备血管紧张素II受体拮抗剂的有用中间体。一个示例性的双苯基四唑化合物是2-正丁基-4-氯-1-[(2'-(四唑-5-基)-1,1'-联苯基-4-基)甲基]-1H-咪唑-5-甲醇，钾盐。
• Treatment of atherosclerosis with angiotensin II receptor blocking
  申请人：Merck & Co., Inc.

  公开号：US05663186A1

  公开（公告）日：1997-09-02

  A method of treatment for atherosclerosis and/or reducing cholesterol using an angiotensin II antagonist. This method of treatment can be used in conjunction with the treatment of hypertension. Substituted imidazoles such as ##STR1## are useful as angiotensin II receptor antagonists for this method of treatment. A method of treatment for atherosclerosis and/or reducing cholesterol using an angiotensin II receptor antagonist in combination with an HMG-Co A reductase inhibitor. A method of treatment for atherosclerosis and/or reducing cholesterol using an angiotensin II receptor antagonist in combination with an HMG-Co A reductase inhibitor and an angiotensin converting enzyme inhibitor. Also within the scope of this invention are pharmaceutical compositions for this method of use.

  一种治疗动脉粥样硬化和/或降低胆固醇的方法，使用一种血管紧张素Ⅱ拮抗剂。这种治疗方法可以与高血压治疗同时使用。取代咪唑类化合物，如##STR1##，可作为这种治疗方法中的血管紧张素Ⅱ受体拮抗剂。一种治疗动脉粥样硬化和/或降低胆固醇的方法，使用一种血管紧张素Ⅱ受体拮抗剂结合HMG-CoA还原酶抑制剂。一种治疗动脉粥样硬化和/或降低胆固醇的方法，使用一种血管紧张素Ⅱ受体拮抗剂结合HMG-CoA还原酶抑制剂和血管紧张素转换酶抑制剂。此发明还涵盖了用于该使用方法的药物组合物。
• Process for preparing 2,4,5-trisubstituted imidazoles from N-acylated alpha-amino nitriles
  申请人：——

  公开号：US20040267026A1

  公开（公告）日：2004-12-30

  The invention is a process for preparing an imidazole of formula I 1 which comprises treating an N-acylated &agr;-amino nitrile with a phosphine and a carbon tetrahalide of the formula CX 4 , wherein X is Cl or Br, to form a haloimidazole of the formula 2 wherein R 1 is selected from the group consisting of hydrogen, C 1-6 alkyl, —CH 2 -aryl, and aryl; and R 2 is selected from the group consisting of hydrogen, C 1-6 alkyl, —CH 2 —O-aryl and aryl; and X is selected from the group consisting of Cl and Br.

  这项发明是一种制备式I1咪唑的过程，包括将N-酰化的α-氨基腈与膦和化学式CX4的碳四卤化物（其中X为Cl或Br）反应，形成式2的卤代咪唑，其中R1选自氢、C1-6烷基、—CH2-芳基和芳基组成的群；R2选自氢、C1-6烷基、—CH2—O-芳基和芳基组成的群；X选自Cl和Br组成的群。
• Tetrazolylphenylboronic acid intermediates for the synthesis of AII
  申请人：——

  公开号：US05130439A1

  公开（公告）日：1992-07-14

  Novel tetrazolylphenylboronic acids, methods for their preparation, and their use in the syntheses of angiotensin II receptor antagonists are disclosed.

  揭示了新型四唑基苯硼酸、其制备方法以及其在合成血管紧张素II受体拮抗剂中的应用。