4-(Boc-氨基)-2-甲基苯硼酸频那醇酯 | 1256360-04-9

• 物质功能分类: 化学试剂 - 有机试剂 - 酯类
• 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: 4-(Boc-氨基)-2-甲基苯硼酸频那醇酯
• 英文名称: tert-butyl N-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate
• 英文别名: tert-butyl (3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)carbamate
• CAS: 1256360-04-9
• 化学式: C₁₈H₂₈BNO₄
• 分子量: 333.236
• InChiKey: YNSJUGFYOGEXHY-UHFFFAOYSA-N

物化性质

• 沸点：
  395.2±42.0 °C(Predicted)
• 密度：
  1.06±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.64
• 重原子数：
  24
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  56.8
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 海关编码：
  2934999090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 4-(Boc-Amino)-2-methylphenylboronic acid, pinacol ester
Synonyms: tert-Butyl 3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenylcarbamate

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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-(Boc-Amino)-2-methylphenylboronic acid, pinacol ester
CAS number: 1256360-04-9

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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, refrigerated.
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: C18H28BNO4
Molecular weight: 333.2

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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：

  4-(Boc-氨基)-2-甲基苯硼酸频那醇酯 在 tris-(dibenzylideneacetone)dipalladium(0) 、 四(三苯基膦)钯 、 三叔丁基膦 、 sodium carbonate 、 三氟乙酸 、 sodium t-butanolate 作用下， 以 二氯甲烷 、 水 、 甲苯 为溶剂， 反应 42.0h， 生成 4-[2,5-dihexyl-4-[2-methyl-4-[4-(4-propylphenyl)anilino]phenyl]phenyl]-3-methyl-N-[4-(4-propylphenyl)phenyl]aniline
  参考文献：
  名称：

  SYSTEM FOR FORMING AN ELECTROACTIVE LAYER

  摘要：

  提供一个用于形成电活性层的电活性系统。该系统包括：(a)第一种电活性材料；(b)促进剂；和(c)第一种液体介质。在烘烤过程中，促进剂的量足以使得由此制成的电活性层在电活性系统沉积并烘烤预定时间后，能有效抵抗与之接触的第二种液体介质的混合，且烘烤温度低于350°C。

  公开号：

  US20160315259A1
• 作为产物：
  描述：

  4-溴-3-甲基苯胺 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 potassium acetate 作用下， 以 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 反应 56.0h， 生成 4-(Boc-氨基)-2-甲基苯硼酸频那醇酯
  参考文献：
  名称：

  [EN] SOLVENT-RESISTANT HOLE TRANSPORT LAYERS
  [FR] COUCHES DE TRANSPORT DE TROUS RÉSISTANTES AUX SOLVANTS

  摘要：

  提供一种具有以下化学式的空穴传输材料，化学式为I、Ia或II：在这些化学式中：A是含有至少一个三芳基胺基团的芳香基团；B'是一个芳香基团；E是末端基团，可以是H、D、烷基、芳基、卤素、氘代烷基或氘代芳基；G是G1、G2或其氘代物，星号代表连接点；n是大于0的整数；m1和m2代表非零摩尔分数，使得m1 + m2 = 1。

  公开号：

  WO2015089027A1

文献信息

• [EN] ELECTROACTIVE MATERIALS<br/>[FR] SUBSTANCES ÉLECTROACTIVES
  申请人：DU PONT

  公开号：WO2011159872A1

  公开（公告）日：2011-12-22

  There is disclosed a compound having Formula I or Formula I': In Formula I and Formula I': Ar1 and Ar2 are the same or different and are aryl groups; R1 through R5 are independently the same or different at each occurrence and are D, F, alkyl groups, aryl groups, alkoxy groups, silyl groups, or crosslinkable groups; R6 is H, D, or halogen; a through e are independently an integer from 0 to 4; f is 1 or 2; g is 0, 1 or 2; h is 1 or 2; and n is an integer greater than 0.

  披露了具有化学式I或化学式I'的化合物：在化学式I和化学式I'中：Ar1和Ar2相同或不同且为芳基基团；R1至R5在每次出现时独立相同或不同，为D、F、烷基基团、芳基基团、烷氧基团、硅基基团或交联基团；R6为H、D或卤素；a至e独立地为0至4的整数；f为1或2；g为0、1或2；h为1或2；n为大于0的整数。
• [EN] LACTAM (HETERO)ARYLFUSEDPYRIMIDINE DERIVATIVES AS INHIBITORS OF ERBB2<br/>[FR] DÉRIVÉS DE PYRIMIDINE À FUSION HÉTÉROARYLE LACTAME SERVANT D'INHIBITEURS D'ERBB2
  申请人：ENLIVEN THERAPEUTICS INC

  公开号：WO2022140769A1

  公开（公告）日：2022-06-30

  The present disclosure relates generally to compounds and compositions thereof for inhibition of ErbB2, including mutant forms of ErbB2, particularly those harboring an Exon 20 mutation, methods of preparing said compounds and compositions, and their use in the treatment or prophylaxis of various cancers, such as lung, glioma, skin, head neck, salivary gland, breast, esophageal, liver, stomach (gastric), uterine, cervical, biliary tract, pancreatic, colorectal, renal, bladder or prostate cancer.

  本公开涉及抑制ErbB2的化合物及其组合物，包括突变形式的ErbB2，特别是那些携带Exon 20突变的形式，制备这些化合物和组合物的方法，以及它们在治疗或预防各种癌症方面的用途，如肺癌、胶质瘤、皮肤癌、头颈癌、唾液腺癌、乳腺癌、食管癌、肝癌、胃癌、子宫癌、宫颈癌、胆道癌、胰腺癌、结肠直肠癌、肾癌、膀胱癌或前列腺癌。
• [EN] BET SUBFAMILY INHIBITORS AND METHODS USING SAME<br/>[FR] INHIBITEURS DE LA SOUS-FAMILLE BET ET MÉTHODES LES UTILISANT
  申请人：BAYLOR COLLEGE MEDICINE

  公开号：WO2022159454A1

  公开（公告）日：2022-07-28

  In one aspect, the present disclosure provides compounds which inhibit bromodomain testis (BRDT). In some embodiments, the compounds inhibit bromodomain-2 of BRDT. In another aspect, the present disclosure provides a method of inhibiting BRDT in a male subject, the method comprising administering to the male subject a therapeutically effective amount of a compound of the disclosure. In some embodiments, the method provides a contraceptive effect in the male subject.

  在一个方面，本公开提供了抑制睾丸溴域（BRDT）的化合物。在某些实施例中，该化合物抑制BRDT的溴域-2。在另一个方面，本公开提供了一种抑制男性主体中BRDT的方法，该方法包括向男性主体施用本公开的化合物的治疗有效量。在某些实施例中，该方法在男性主体中提供避孕效果。
• SYSTEM FOR FORMING AN ELECTROACTIVE LAYER
  申请人：E. I. DU PONT DE NEMOURS AND COMPANY

  公开号：US20160315259A1

  公开（公告）日：2016-10-27

  There is provided an electroactive system for forming an electroactive layer. The system includes: (a) a first electroactive material; (b) a facilitation additive; and (c) a first liquid medium. The facilitation additive is present during baking in an amount sufficient to enable the electroactive layer made therefrom to effectively resist mixing with a second liquid medium applied thereover after the electroactive system is deposited and baked at a temperature less than 350° C. for a predetermined time.

  提供一个用于形成电活性层的电活性系统。该系统包括：(a)第一种电活性材料；(b)促进剂；和(c)第一种液体介质。在烘烤过程中，促进剂的量足以使得由此制成的电活性层在电活性系统沉积并烘烤预定时间后，能有效抵抗与之接触的第二种液体介质的混合，且烘烤温度低于350°C。
• [EN] SOLVENT-RESISTANT HOLE TRANSPORT LAYERS<br/>[FR] COUCHES DE TRANSPORT DE TROUS RÉSISTANTES AUX SOLVANTS
  申请人：DU PONT

  公开号：WO2015089027A1

  公开（公告）日：2015-06-18

  There is provided a hole transport material having Formula I, Formula Ia, or Formula II: In the formulae: A is an aromatic moiety including at least one triarylamino group; B' is an aromatic moiety; E is an end group which is H, D, alkyl, aryl, halide, deuterated alkyl, or deuterated aryl; G is G1, G2, or a deuterated analog thereof where the asterisk represents the point of attachment; n is an integer greater than 0; and m1 and m2 represent non-zero mole fractions, such that m1 + m2 = 1.

  提供一种具有以下化学式的空穴传输材料，化学式为I、Ia或II：在这些化学式中：A是含有至少一个三芳基胺基团的芳香基团；B'是一个芳香基团；E是末端基团，可以是H、D、烷基、芳基、卤素、氘代烷基或氘代芳基；G是G1、G2或其氘代物，星号代表连接点；n是大于0的整数；m1和m2代表非零摩尔分数，使得m1 + m2 = 1。