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  4. 3-[[4-(4,4,5,5-四甲基-1,3,2-二噁硼烷-2-基)-1H-吡唑-1-基]甲基]-吡啶 | 864754-21-2

864754-21-2 (3-[[4-(4,4,5,5-四甲基-1,3,2-二噁硼烷-2-基)-1H-吡唑-1-基]甲基]-吡啶,3-{[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]methyl}pyridine)

快速询单
结构式：
3-[[4-(4,4,5,5-四甲基-1,3,2-二噁硼烷-2-基)-1H-吡唑-1-基]甲基]-吡啶结构式图片|864754-21-2结构式图片
3-[[4-(4,4,5,5-四甲基-1,3,2-二噁硼烷-2-基)-1H-吡唑-1-基]甲基]-吡啶MOL文件
CAS号：
864754-21-2
中文名称：
3-[[4-(4,4,5,5-四甲基-1,3,2-二噁硼烷-2-基)-1H-吡唑-1-基]甲基]-吡啶
英文名称：
3-{[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]methyl}pyridine
分子式：
C15H20BN3O2
分子量：
285.149203300476
相关分类：
溶剂及有机化学品 > 有机化合物 > 有机杂环化合物 > 吡啶及其衍生物
溶剂及有机化学品 > 有机化合物 > 有机杂环化合物 > 吡啶及其衍生物 > 吡啶及其衍生物

3-[[4-(4,4,5,5-四甲基-1,3,2-二噁硼烷-2-基)-1H-吡唑-1-基]甲基]-吡啶(864754-21-2)名称与标识符

名称

中文别名：
1-(3-吡啶甲基)-1H-吡唑-4-硼酸频哪醇酯;1-(3-吡啶甲基)-1H-吡唑-4-硼酸频哪酯;3-[[4-(4,4,5,5-四甲基-1,3,2-二噁硼烷-2-基)-1H-吡唑-1-基]甲基]-吡啶;
英文别名：
3-((4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)methyl)pyridine;1-(Pyridin-3-ylmethyl)-1H-pyrazole-4-boronic acid, pinacol ester;3-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]methyl]pyridine;Pyridine,3-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]methyl]-;1-(3-PyridylMethyl)-1H-pyrazole-4-boronic acid pinacol ester;3-((4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole-1-yl)methyl)pyridine;3-[4-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-pyrazol-1-ylmethyl]-pyridine;3-[[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-;3-{[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]methyl}pyridine;3-[[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]methyl]pyridine (ACI);3-[[4-(Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]methyl]pyridine;3-{[4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRAZOL-1-YL]METHYL}PYRIDINE;3-[[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]methyl]pyridine;DTXSID40592252;3-{[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]methyl}pyridine;Pyridine, 3-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]methyl]-;DS-13598;3-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)pyrazol-1-ylmethyl]pyridine;864754-21-2;AKOS015958617;EN300-265799;(1-(PYRIDIN-3-YLMETHYL)-1H-PYRAZOL-4-YL)BORONIC ACID PINACOL ESTER;CS-0030603;1-(3-Pyridinmethyl)pyrazole-4-boronic acid pinacol ester;SCHEMBL1356432;F9995-1255;MFCD08706029;F11405;LVLQAPQDEZOFQU-UHFFFAOYSA-N;1-(Pyridin-3-ylmethyl)-1H-pyrazole-4-boronic acid pinacol ester, AldrichCPR;

标识符

MDL：
MFCD08706029
InChIKey：
LVLQAPQDEZOFQU-UHFFFAOYSA-N
Inchi：
1S/C15H20BN3O2/c1-14(2)15(3,4)21-16(20-14)13-9-18-19(11-13)10-12-6-5-7-17-8-12/h5-9,11H,10H2,1-4H3
SMILES：
N1C=C(CN2C=C(B3OC(C)(C)C(C)(C)O3)C=N2)C=CC=1

3-[[4-(4,4,5,5-四甲基-1,3,2-二噁硼烷-2-基)-1H-吡唑-1-基]甲基]-吡啶(864754-21-2)物化性质

实验特性

  • LogP : 1.62560
  • PSA : 49.17000
  • 折射率 : 1.559
  • 沸点 : 450.6°C at 760 mmHg
  • 熔点 : 102-106℃
  • 闪点 : 226.3°C
  • 密度 : 1.12

计算特性

  • 精确分子量 : 285.16500
  • 氢键供体数量 : 0
  • 氢键受体数量 : 4
  • 可旋转化学键数量 : 3
  • 同位素质量 : 285.1648571g/mol
  • 重原子数量 : 21
  • 复杂度 : 362
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 拓扑分子极性表面积 : 49.2

3-[[4-(4,4,5,5-四甲基-1,3,2-二噁硼烷-2-基)-1H-吡唑-1-基]甲基]-吡啶(864754-21-2)安全信息

3-[[4-(4,4,5,5-四甲基-1,3,2-二噁硼烷-2-基)-1H-吡唑-1-基]甲基]-吡啶(864754-21-2)海关数据

海关编码：
2934999090
海关数据：

中国海关编码：

2934999090

概述：

2934999090. 其他杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%

申报要素：

品名, 成分含量, 用途

Summary：

2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

3-[[4-(4,4,5,5-四甲基-1,3,2-二噁硼烷-2-基)-1H-吡唑-1-基]甲基]-吡啶(864754-21-2)推荐厂家 更多厂家(10)

公司名称手机号/电话联系人QQ微信询单
上海瀚思化工有限公司 18939883912
021-34536277		顾经理 3003949364
询单
上海腾准生物科技有限公司 19821570922
021-34053661		张经理 3003871136
询单
上海绩祥生物科技有限公司 18605105771李经理 1799924424
询单
上海吉至生化科技有限公司 18117592386
021-57481218		吉至试剂 3007522982
询单
金锦乐（湖南）化学有限公司 金锦乐 1226360695
询单
上海源叶生物科技有限公司 15026964105
15026964105		汤思磊 2881489226
询单
江苏艾康生物医药研发有限公司 18795912720
025-66061636		杨情情 3004779232
询单
天津威赛诺科技发展有限公司 13072220165
022-27466330		张海 21983774 询单
上海丝帆医药科技有限公司 询单

3-[[4-(4,4,5,5-四甲基-1,3,2-二噁硼烷-2-基)-1H-吡唑-1-基]甲基]-吡啶(864754-21-2)合成路线

合成路线：1 步
269410-08-4
6959-48-4
39%
864754-21-2
反应条件：
参考文献：
Development of Inhibitors of SAICAR Synthetase (PurC) from Mycobacterium abscessus Using a Fragment-Based Approach
Charoensutthivarakul, Sitthivut ; et al, ACS Infectious Diseases, 2022, 8(2), 296-309
合成路线：1 步
269410-08-4
4916-55-6
22%
864754-21-2
反应条件：
参考文献：
Cell Penetrant Inhibitors of the KDM4 and KDM5 Families of Histone Lysine Demethylases. 2. Pyrido[3,4-d]pyrimidin-4(3H)-one Derivatives
Westaway, Susan M.; et al, Journal of Medicinal Chemistry, 2016, 59(4), 1370-1387

3-[[4-(4,4,5,5-四甲基-1,3,2-二噁硼烷-2-基)-1H-吡唑-1-基]甲基]-吡啶(864754-21-2)上下游

吡唑-4-硼酸凤梨醇酯 3-氯甲基吡啶盐酸盐

3-[[4-(4,4,5,5-四甲基-1,3,2-二噁硼烷-2-基)-1H-吡唑-1-基]甲基]-吡啶(864754-21-2) MSDS

基础信息

  Material Safety Data Sheet
Section 1. Identi?cation of the substance
    Product Name:      1-(Pyridin-3-ylmethyl)-1H-pyrazole-4-boronic acid, pinacol ester    
    Synonyms:        3-[4-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-pyrazol-1-ylmethyl]-pyridine    
Section 2. Hazards identi?cation
    Harmful by inhalation, in contact with skin, and if swallowed.
Section 3. Composition/information on ingredients.
    Ingredient name:        1-(Pyridin-3-ylmethyl)-1H-pyrazole-4-boronic acid, pinacol ester    
    CAS number:        864754-21-2    
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    
    ?ushing of the eyes by separating the eyelids with ?ngers. 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 ?ghting measures
    In the event of a ?re 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 quali?ed    
    in the handling and use of potentially hazardous chemicals, who should take into account the ?re,
    health and chemical hazard data given on this sheet.
    Store in closed vessels, refrigerated.
    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 speci?ed    
    Boiling point:        No data    
    No data
    Melting point:
    Flash point:        No data    
    Density:        No data    
    Molecular formula:        C15H20BN3O2    
    Molecular weight:        285.1    
Section 10. Stability and reactivity
    Conditions to avoid: Heat, ?ames and sparks.
    Materials to avoid: Oxidizing agents.
    Possible hazardous combustion products: Carbon monoxide, nitrogen 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

目录

1.基本信息 2.名称与标识符 2.1.名称 2.2.标识符 3.物化性质 3.1.实验特性 3.2.计算特性 4.安全信息 5.海关数据 6.推荐厂家 7.合成路线 8.上下游 9.3-[[4-(4,4,5,5-四甲基-1,3,2-二噁硼烷-2-基)-1H-吡唑-1-基]甲基]-吡啶 MSDS
相关化合物
864754-20-1(4-[4-(4,4,5,5-四甲基-[1,3,2]二噁硼烷-2-基)-吡唑-1-甲基]-吡啶) 79139-61-0(4-苯基-2,8-二氮杂螺[4.5]-1-癸酮) 791780-06-8(3-(3,4-二氯苯氧基)吖丁啶) 791778-53-5(trans-4-[2-[4-(2,3-Dichlorophenyl)piperazin-1-yl]ethyl]cyclohexanamine) 79201-37-9(4-N-叔丁氧羰基-4-N-甲基氨基哌啶) 787564-37-8((3R)-3-fluoropiperidine;hydrochloride) 78784-70-0(3-CHLORO-6-(2-PYRIDINYLMETHYL)PYRIDAZINE) 78789-65-8(butyl 3-(trichlorostannyl)propanoate compound with 2,2'-bipyridine (1:1) (en))
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