3-硼苯磺酰胺叔丁酯 | 221290-14-8

• 物质功能分类: 原料药 - 人工合成抗感染类药 - 磺胺类药及增效剂
• 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-硼苯磺酰胺叔丁酯
• 中文别名: [3-[[叔丁基氨基]磺酰基]苯基]硼酸；3-(叔丁基磺酰胺基)苯硼酸
• 英文名称: N-t-butyl 3-boronobenzenesulfonamide
• 英文别名: [3-(tert-butylsulfamoyl)phenyl]boronic acid；3-(tert-butylsulfamoyl)-benzeneboronic acid；N-tert-butyl-3-boronobenzenesulfonamide；4-(N-tert-butylsulfamoyl)-2-benzeneboronic acid；3-(N-tert-butylsulfamoyl)phenylboronic acid；3-(tert-Butylaminosulphonyl)benzeneboronic acid
• CAS: 221290-14-8
• 化学式: C₁₀H₁₆BNO₄S
• 分子量: 257.118
• InChiKey: LSSASZPAKWQFHO-UHFFFAOYSA-N

物化性质

• 熔点：
  120-124
• 沸点：
  449.3±55.0 °C(Predicted)
• 密度：
  1.28±0.1 g/cm3 (20 ºC 760 Torr)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.56
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  95
• 氢给体数：
  3
• 氢受体数：
  5

安全信息

• 危险品标志：
  Xi
• 安全说明：
  S26,S36
• 危险类别码：
  R36/37/38
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H315,H319,H335

SDS

Material Safety Data Sheet

---

Section 1. Identification of the substance
t-Butyl 3-boronobenzenesulfonamide
Product Name:
Synonyms: 3-t-Butylsulfamoylphenylboronic acid

---

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

---

Section 3. Composition/information on ingredients.
t-Butyl 3-boronobenzenesulfonamide
Ingredient name:
CAS number: 221290-14-8

---

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:

---

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.
Storage: Store in closed vessels, refrigerated.

---

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
Not specified
Appearance:
Boiling point: No data
Melting point: No data
Flash point: No data
Density: No data
Molecular formula: C10H16BNO4S
Molecular weight: 257.1

---

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, sulfur oxides.

---

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-硼苯磺酰胺叔丁酯 在 四(三苯基膦)钯 sodium carbonate 作用下， 以 N-甲基吡咯烷酮 、 乙二醇二甲醚 、 水 为溶剂， 反应 19.0h， 生成 N-tert-butyl-3-(6-cyano-pyridin-2-yl)-benzene-sulfonamide
  参考文献：
  名称：

  WO2008/119689

  摘要：

  公开号：

文献信息

• [EN] PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USE AS JANUS KINASE MODULATORS<br/>[FR] COMPOSÉS DE PYRROLOPYRIMIDINE ET LEUR UTILISATION EN TANT QU'INHIBITEURS DES JANUS KINASES
  申请人：TARGEGEN INC

  公开号：WO2009049028A1

  公开（公告）日：2009-04-16

  Provided herein are pyrrolopyrimidine compounds of Formula (I) wherein R1 is a heteroaryl containing at least one S atom, and optionally substituted on a ring carbon by one, two, or three substituents each independently selected from the group consisting of : halo, hydroxyl, nitro, formyl, formamido, cyano, sulfonyl, carboxy, amino, amido, acylamino, carbamoyl, sulphamoyl, alkyl, alkenyl, CF3, ureido, alkynyl, alkoxy, alkanoyl, alkoxycarbonyl, carbaldehyde oxime, N -alkylsulphamoyl, N-alkylcarbamoyl, -OR13R11 or -R13R11; R2 is phenyl or pyridinyl, wherein R2 optionally substituted on a ring carbon by one, two, or three substituents each indenpendently selected from the group consisting of : halo, hydroxyl, cyano, nitro, formyl, formamido, carboxy, sulfonyl, amino, amido, -N- alkyl -amino, carbamoyl, sulphamoyl, CF3, ureido, alkyl, alkenyl, alkynyl, alkoxy, alkanoyl, alkoxycarbonyl, N-alkylsulphamoyl, N-alkylcarbamoyl, -OR11, -OR12R11, or -R12R11; and methods of making and using the same. Such compounds may be used in inflammatory or myeloproliferative disorders. The disclosure also provides for treating cancer.

  本文提供了通式(I)的吡咯并嘧啶化合物，其中R1是含有至少一个硫原子的杂芳基，并且任选地在芳环碳上被一个、两个或三个取代基取代，这些取代基独立地从以下基团中选择：卤素、羟基、硝基、甲酰基、甲酰胺基、氰基、磺酰基、羧基、氨基、酰胺基、酰氨基、氨基甲酰基、磺酰胺基、烷基、烯基、CF3、脲基、炔基、烷氧基、烷酰基、烷氧羰基、羧醛肟、N-烷基磺酰胺基、N-烷基氨基甲酰基、-OR13R11或-R13R11；R2是苯基或吡啶基，其中R2任选地在环碳上被一个、两个或三个取代基取代，这些取代基独立地从以下基团中选择：卤素、羟基、氰基、硝基、甲酰基、甲酰胺基、羧基、磺酰基、氨基、酰胺基、-N-烷基-氨基、氨基甲酰基、磺酰胺基、 、脲基、烷基、烯基、炔基、烷氧基、烷酰基、烷氧羰基、N-烷基磺酰胺基、N-烷基氨基甲酰基、-OR11、-OR12R11或-R12R11；以及其制备和使用方法。这些化合物可用于炎症性或骨髓增生性疾病。该披露还提供了用于治疗癌症的方法。
• [EN] ANTIVIRAL COMPOUNDS<br/>[FR] COMPOSÉS ANTIVIRAUX
  申请人：HOFFMANN LA ROCHE

  公开号：WO2014135495A1

  公开（公告）日：2014-09-12

  The present invention discloses compounds of Formula I: wherein the variables in Formula I are defined as described herein. Also disclosed are pharmaceutical compositions containing such compounds and methods for using the compounds of Formula I in the prevention or treatment of HCV infection.

  本发明公开了化合物的结构式I：其中结构式I中的变量如本文所述。还公开了含有这些化合物的药物组合物，以及使用结构式I中的化合物预防或治疗HCV感染的方法。
• [EN] ANILINOPYRIMIDINES AS JAK KINASE INHIBITORS<br/>[FR] ANILINOPYRIMIDINES EN TANT QU'INHIBITEURS DE KINASES JAK
  申请人：TARGEGEN INC

  公开号：WO2009046416A1

  公开（公告）日：2009-04-09

  Provided herein are pyrimidine compounds, and methods of making and using the same. Such compounds may be used in inflammatory or myeloproliferative disorders. The disclosure also provides for treating cancer.

  本发明提供了嘧啶化合物及其制备和使用方法。这些化合物可用于治疗炎症或骨髓增生性疾病。本发明还提供了治疗癌症的方法。
• [EN] THIAZOLIDINONE COMPOUNDS, AND METHODS OF MAKING AND USING SAME<br/>[FR] COMPOSÉS DE THIAZOLIDINONE ET PROCÉDÉS DE PRÉPARATION ET D'UTILISATION DE CEUX-CI
  申请人：TARGEGEN INC

  公开号：WO2009026345A1

  公开（公告）日：2009-02-26

  Provided herein are thiazolidinone compounds, and methods of making and using the same. Such compounds may be used in inflammatory or immune-mediated disorders. The disclosure provides for treating respiratory or ocular disorders, treating arthritis, or may be used to treat cancer, such as prostate or breast cancer, or multiple myeloma.

  本发明提供了噻唑烷二酮化合物及其制备和使用方法。这类化合物可用于治疗炎症或免疫介导的疾病。本发明可用于治疗呼吸系统或眼部疾病、治疗关节炎，或可用于治疗癌症，如前列腺癌或乳腺癌，或多发性骨髓瘤。
• Pyridine and pyrimidine derivatives as mGIuR2 antagonists
  申请人：McArthur Silvia Gatti

  公开号：US20070232583A1

  公开（公告）日：2007-10-04

  The present invention relates to compounds of formula (I), a process for the manufacture thereof, pharmaceutical compositions containing them, and their use for treating CNS disorders: wherein A, B, X, Y, R 1 , R 2 , R 3 and R 4 are as defined in the description and claims.

  本发明涉及公式（I）的化合物，其制造过程，包含它们的药物组合物以及它们用于治疗中枢神经系统疾病的用途： 其中A，B，X，Y，R1，R2，R3和R4如描述和要求中所定义。