3'-羟基-3-联苯甲醛 | 400745-17-7

• 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: 3'-羟基-3-联苯甲醛
• 英文名称: 3′-hydroxy-[1,1′-biphenyl]-3-carbaldehyde
• 英文别名: 3'-Hydroxy-biphenyl-3-carbaldehyde；3-(3-hydroxyphenyl)benzaldehyde
• CAS: 400745-17-7
• 化学式: C₁₃H₁₀O₂
• mdl: MFCD04117377
• 分子量: 198.221
• InChiKey: MFZQXRUPOBECBS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  15
• 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：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2912499000

SDS

Material Safety Data Sheet

---

Section 1. Identification of the substance
Product Name: 3-(3-Formylphenyl)phenol
Synonyms:

---

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

---

Section 3. Composition/information on ingredients.
Ingredient name: 3-(3-Formylphenyl)phenol
CAS number: 400745-17-7

---

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.

---

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.

---

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.

---

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:

---

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.

---

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: C13H10O2
Molecular weight: 198.2

---

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

---

Section 11. Toxicological information
No data.

---

Section 12. Ecological information
No data.

---

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.

---

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

---

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.

---

SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  3'-羟基-3-联苯甲醛 在 sodium ethanolate 、 potassium carbonate 作用下， 以 乙醇 、 乙腈 为溶剂， 生成 2-((3’-(5-cyano-6-oxo-2-thioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-[1,1‘-biphenyl]-3-yl)oxy)acetic acid
  参考文献：
  名称：

  [EN] INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE
  [FR] INHIBITEURS DE LA SEMIALDÉHYDE DÉCARBOXYLASE DE L'ACIDE ALPHA-AMINO-BÊTA-CARBOXYMUCONIQUE

  摘要：

  本公开揭示了能够调节α-氨基-β-羧基琥珀酸半醛脱羧酶（ACMSD）活性的化合物，这些化合物对于预防和/或治疗与NAD+生物合成缺陷相关的疾病和疾病非常有用，例如代谢紊乱、神经退行性疾病、慢性炎症性疾病、肾脏疾病以及与衰老相关的疾病。本申请还揭示了包含所述化合物的药物组合物以及将这些化合物用作药物的用途。

  公开号：

  WO2018069532A1
• 作为产物：
  描述：

  3-碘苯酚 、 tris(3-formylphenyl)bismuthine 在 potassium phosphate 、 四(三苯基膦)钯 、 lithium chloride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 6.0h， 以50%的产率得到3'-羟基-3-联苯甲醛
  参考文献：
  名称：

  通过官能团的操作合成高度官能化的三芳基双变色氨酸及其在钯和铜催化的芳构化反应中的应用

  摘要：

  有机铋是一类有吸引力的有机金属试剂，可以从便宜且无毒的铋盐中获得。三芳基双变异蛋白由于其在空气和湿气中的稳定性以及对官能团的高度耐受性而特别受关注。我们在这里报告了通过三官能团操纵制备高度官能化的三芳基铋试剂的详细研究，以及它们在钯和铜催化的C-，N-和O-芳基化反应中的应用。

  DOI：

  10.1021/acs.joc.6b00767

文献信息

• Aromatic Monoester Compositions and Processes for Preparing Same
  申请人：ExxonMobil Chemical Patents Inc.

  公开号：US20180282257A1

  公开（公告）日：2018-10-04

  This disclosure relates to compositions that include one or more aromatic monoesters derived from branched Guerbet alcohols and aromatic acids, or from branched Guerbet acids and aromatic alcohols. The compositions are suitable as lubricant base stocks.

  本披露涉及包含一种或多种从分支Guerbet醇和芳香酸或从分支Guerbet酸和芳香醇中衍生出的芳香单酯的组合物。这些组合物适用作润滑油基础油。
• Antibacterial Biaromatic Derivatives
  申请人：ACTELION PHARMACEUTICALS LTD

  公开号：US20160075722A1

  公开（公告）日：2016-03-17

  The invention relates to antibacterial compounds of formula I (I) wherein R is H, cyano, alkoxy, cyanomethoxy, cycloalkylmethoxy, hydroxyalkoxy, alkoxyalkoxy, alkoxycarbonyl, 2-ethoxy-2-oxoethoxy, 2-(methylamino)-2-oxoethoxy, (1-cyanocyclobutyl)methoxy, 3-hydroxy-pyrrolidin-1-yl or 3,4-dihydroxycyclopentyl)methoxy; U 1 is N or CR 1 , U 2 is N or CR 1 , U 3 is N or CR 3 and U 4 is N or CR 1 , it being understood that at most three of U 1 , U 2 , U 3 and U 4 can be N at the same time; V 1 is N or CR 5 , V 2 is N or CR 6 , V 3 is N or CR 7 and V 4 is N or CH, it being understood that at most two of V 1 , V 2 , V 3 and V4 can be N at the same time; R1 is H, cyano, hydroxy or alkoxy; R2 is H, hydroxy or alkoxy; R 3 is H, cyano, hydroxy, alkoxy or carboxamido; R 4 is H or alkoxy; R 5 is H, hydroxy or halogen; R 6 is H, hydroxy or halogen; R 7 is H; the dotted line “______” represents a bond or is absent; W represents CH or N when the dotted line “______” is a bond, or W represents CH 2 when the dotted line “______” is absent; X represents CH or N; and Q represents O or S; and salts thereof.

  本发明涉及式I的抗菌化合物（I），其中R为H，氰基，烷氧基，氰甲氧基，环烷基甲氧基，羟基烷氧基，烷氧基烷氧基，烷氧基羧酰基，2-乙氧基-2-氧代乙氧基，2-（甲基氨基）-2-氧代乙氧基，（1-氰基环丁基）甲氧基，3-羟基吡咯烷-1-基或3,4-二羟基环戊基）甲氧基；U1为N或CR1，U2为N或CR1，U3为N或CR3，U4为N或CR1，其中最多只能同时有三个U1，U2，U3和U4为N；V1为N或CR5，V2为N或CR6，V3为N或CR7，V4为N或CH，其中最多只能同时有两个V1，V2，V3和V4为N；R1为H，氰基，羟基或烷氧基；R2为H，羟基或烷氧基；R3为H，氰基，羟基，烷氧基或羧酰胺基；R4为H或烷氧基；R5为H，羟基或卤素；R6为H，羟基或卤素；R7为H；虚线“______”表示键或不存在；当虚线“______”为键时，W表示CH或N，当虚线“______”不存在时，W表示CH2；X表示CH或N；Q表示O或S；以及其盐。
• ANTIBACTERIAL BIAROMATIC DERIVATIVES
  申请人：Actelion Pharmaceuticals Ltd.

  公开号：EP2986607B1

  公开（公告）日：2017-06-14
• INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE
  申请人：TES Pharma S.r.I.

  公开号：US20180134667A1

  公开（公告）日：2018-05-17

  The present disclosure discloses compounds capable of modulating the activity of α-amino-β-carboxymuconic acid semialdehyde decarboxylase (ACMSD), which are useful for the prevention and/or the treatment of diseases and disorders associated with defects in NAD + biosynthesis, e.g., metabolic disorders, neurodegenerative diseases, chronic inflammatory diseases, kidney diseases, and diseases associated with ageing. The present application also discloses pharmaceutical compositions comprising said compounds and the use of such compounds as a medicament.
• US6177500B1
  申请人：——

  公开号：US6177500B1

  公开（公告）日：2001-01-23