6-甲氧基-2-甲基吡啶-3-硼酸 | 459856-12-3

• 物质功能分类: 医药中间体 - 杂环化合物 - 吡啶类化合物
• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 6-甲氧基-2-甲基吡啶-3-硼酸
• 中文别名: 2-甲基-6-甲氧基吡啶-3-硼酸
• 英文名称: (6-methoxy-2-methylpyridin-3-yl)boronic acid
• 英文别名: 6-methoxy-2-methylpyridinyl-3-boronic acid；6-methoxy-2-methyl-3-pyridineboronic acid；6-methoxy-2-methylpyridine-3-boronic acid；2-methyl-6-methoxypyridin-3-boronic acid；6-methoxy-2-methyl-pyridin-3-ylboronic acid；6-methoxy-2-methylpyridin-3-ylboronic acid；2-Methyl-6-methoxypyridine-3-boronic acid
• CAS: 459856-12-3
• 化学式: C₇H₁₀BNO₃
• mdl: MFCD05662386
• 分子量: 166.972
• InChiKey: CWXWIICBKIHZFC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.94
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.285
• 拓扑面积：
  62.6
• 氢给体数：
  2
• 氢受体数：
  4

安全信息

• 危险品标志：
  Xi
• 安全说明：
  S26,S39
• 危险类别码：
  R37/38,R41
• 海关编码：
  2933399090
• 包装等级：
  III
• 危险类别：
  8
• 危险性防范说明：
  P261,P264,P271,P280,P302+P352,P304+P340,P312,P305+P351+P338+P310,P332+P313,P362,P403+P233,P405,P501
• 危险品运输编号：
  3261
• 危险性描述：
  H315,H318,H335

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 2-Methyl-6-methoxypyridine-3-boronic acid
Synonyms:

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.
H315: Causes skin irritation
H318: Causes serious eye damage
H335: May cause respiratory irritation
P261: Avoid breathing dust/fume/gas/mist/vapours/spray
P280: Wear protective gloves/protective clothing/eye protection/face protection
P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present
and easy to do – continue rinsing

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Section 3. Composition/information on ingredients.
Ingredient name: 2-Methyl-6-methoxypyridine-3-boronic acid
CAS number: 459856-12-3

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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
No data
Boiling point:
Melting point: No data
Flash point: No data
Density: No data
Molecular formula: C7H10BNO3
Molecular weight: 167.0

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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：

  6-甲氧基-2-甲基吡啶-3-硼酸 在 双氧水 作用下， 以 二氯甲烷 为溶剂， 以62%的产率得到6-methoxy-2-methylpyridin-3-ol
  参考文献：
  名称：

  SEROTONIN AND NOREPINEPHRINE REUPTAKE INHIBITOR

  摘要：

  一种谷胺酸和去甲肾上腺素的再摄取抑制剂的配方：描述了其用途和制备方法。

  公开号：

  US20100261762A1
• 作为产物：
  描述：

  2-甲氧基-5-溴-6-甲基吡啶 生成 6-甲氧基-2-甲基吡啶-3-硼酸
  参考文献：
  名称：

  4 - (2-butylamino) - 2, 7-dimethyl-8- (2-methyl-6-methoxypyrid-3-yl) pyrazolo- [1,5-A] - 1,3,5-triazine, its enantiomers and pharmaceutically acceptable salts as corticotropin releasing factor receptor ligands

  摘要：

  Corticotropin releasing factor (CRF)拮抗剂的化学式(I):1及其在治疗焦虑、抑郁和其他精神、神经系统疾病方面的应用，以及治疗与心理病理障碍和压力相关的免疫、心血管或心脏相关疾病和结肠过敏反应。

  公开号：

  US20030125330A1

文献信息

• Biaryl Ether Urea Compounds
  申请人：FAY Lorraine Kathleen

  公开号：US20080261941A1

  公开（公告）日：2008-10-23

  The present invention relates to compounds of Formula (I) or a pharmaceutically acceptable salt thereof; processes for the preparation of the compounds; intermediates used in the preparation of the compounds; compositions containing the compounds; and uses of the compounds in treating diseases or conditions associated with fatty acid amide hydrolase (FAAH) activity.

  本发明涉及式(I)的化合物或其药用可接受的盐；制备该化合物的方法；制备该化合物所用的中间体；含有该化合物的组合物；以及利用该化合物治疗与脂肪酸酰胺水解酶(FAAH)活性相关的疾病或症状。
• INDOLE DERIVATIVES AS CRAC MODULATORS
  申请人：Alam Muzaffar

  公开号：US20110071150A1

  公开（公告）日：2011-03-24

  Compounds of the formula I: or pharmaceutically acceptable salts thereof, wherein R 1 , R 2 , R 3 and R 4 are as defined herein. Also disclosed are methods of making the compounds and using the compounds for treatment of diseases associated with calcium release-activated calcium channels (CRAC).

  公式I的化合物： 或其药用可接受的盐， 其中R1、R2、R3和R4按本文定义。还公开了制造这些化合物的方法以及使用这些化合物治疗与钙释放激活钙通道（CRAC）相关疾病的用途。
• [EN] INDAZOLE DERIVATIVES<br/>[FR] DÉRIVÉS D'INDAZOLE
  申请人：TAKEDA PHARMACEUTICAL

  公开号：WO2013130855A1

  公开（公告）日：2013-09-06

  Disclosed are compounds of Formula 1, and pharmaceutically acceptable salts thereof, wherein R1, R2, R3, R4, R5, and R6 are defined in the specification. This disclosure also relates to materials and methods for preparing compounds of Formula 1, to pharmaceutical compositions which contain them, and to their use for treating obesity and related diseases, disorders, and conditions associated with MetAP2.

  公开了Formula 1的化合物及其药用盐，其中R1、R2、R3、R4、R5和R6在规范中有定义。本公开还涉及制备Formula 1化合物的材料和方法，含有这些化合物的药物组合物，以及它们用于治疗肥胖和与MetAP2相关的疾病、紊乱和症状的用途。
• SUBSTITUTED PHENYLALANINE DERIVATIVES
  申请人：BAYER PHARMA AKTIENGESELLSCHAFT

  公开号：US20160280699A1

  公开（公告）日：2016-09-29

  The invention relates to substituted phenylalanine derivatives and to processes for preparation thereof, and to the use thereof for production of medicaments for treatment and/or prophylaxis of diseases, especially of cardiovascular disorders and/or severe perioperative blood loss.

  该发明涉及取代苯丙氨酸衍生物及其制备方法，以及其用于生产治疗和/或预防疾病的药物，特别是心血管疾病和/或严重围手术期失血的药物。
• [EN] HETEROCYCLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF PI3K ACTIVITY<br/>[FR] COMPOSÉS HÉTÉROCYCLIQUES ET LEUR EMPLOI EN TANT QU'INHIBITEURS DE L'ACTIVITÉ DE PI3K
  申请人：AMGEN INC

  公开号：WO2012003283A1

  公开（公告）日：2012-01-05

  Substituted bicyclic heteroaryls and compositions containing them, for the treatment of general inflammation, arthritis, rheumatic diseases, osteoarthritis, inflammatory bowel disorders, inflammatory eye disorders, inflammatory or unstable bladder disorders, psoriasis, skin complaints with inflammatory components, chronic inflammatory conditions, including but not restricted to autoimmune diseases such as systemic lupus erythematosis (SLE), myestenia gravis, rheumatoid arthritis, acute disseminated encephalomyelitis, idiopathic thrombocytopenic purpura, multiples sclerosis, Sjoegren's syndrome and autoimmune hemolytic anemia, allergic conditions including all forms of hypersensitivity, The present invention also enables methods for treating cancers that are mediated, dependent on or associated with p110 activity, including but not restricted to leukemias, such as Acute Myeloid leukaemia (AML) Myelo-dysplastic syndrome (MDS) myelo-proliferative diseases (MPD) Chronic Myeloid Leukemia (CML) T-cell Acute Lymphoblastic leukaemia ( T-ALL) B-cell Acute Lymphoblastic leukaemia (B-ALL) Non Hodgkins Lymphoma (NHL) B-cell lymphoma and solid tumors, such as breast cancer.

  含有取代的双环杂环芳基和含有它们的组合物，用于治疗一般炎症、关节炎、风湿病、骨关节炎、炎性肠道疾病、炎性眼部疾病、炎性或不稳定膀胱疾病、牛皮癣、带有炎症成分的皮肤疾病、慢性炎症性疾病，包括但不限于自身免疫疾病如系统性红斑狼疮（SLE）、重症肌无力、类风湿关节炎、急性播散性脑脊髓炎、特发性血小板减少性紫癜、多发性硬化症、Sjögren综合征和自身免疫性溶血性贫血，包括各种过敏症状的过敏症，本发明还提供了用于治疗由p110活性介导、依赖或与之相关的癌症的方法，包括但不限于白血病，如急性髓细胞白血病（AML）、骨髓增生异常综合征（MDS）、骨髓增生性疾病（MPD）、慢性髓细胞白血病（CML）、T细胞急性淋巴细胞白血病（T-ALL）、B细胞急性淋巴细胞白血病（B-ALL）、非霍奇金淋巴瘤（NHL）、B细胞淋巴瘤和实体肿瘤，如乳腺癌。