93560-55-5 (2-碘-3-甲氧基吡啶,2-iodo-3-methoxy-pyridine)

CAS号:
93560-55-5
中文名称:
2-碘-3-甲氧基吡啶
英文名称:
2-iodo-3-methoxy-pyridine
分子式:
C6H6INO
分子量:
235.022413730621

2-碘-3-甲氧基吡啶(93560-55-5)名称与标识符

名称

中文别名:
2-碘-3-甲氧基吡啶;
英文别名:
2-Iodo-3-methoxypyridine;2-Iodo-3-methoxy-pyridine;2-Iodo-3-methoxypyridine (ACI);D73279;AKOS015853951;CS-0063167;AC-27947;F0001-2251;93560-55-5;DB-012014;DTXSID20355761;EN300-646089;MFCD00234181;SY060551;AB05182;SCHEMBL531517;AC-907/25004528;J-509706;CS-15882;

标识符

MDL:
MFCD00234181
InChIKey:
NJFRZBAZMPWJKQ-UHFFFAOYSA-N
Inchi:
1S/C6H6INO/c1-9-5-3-2-4-8-6(5)7/h2-4H,1H3
SMILES:
IC1C(OC)=CC=CN=1
BRN:
115569

2-碘-3-甲氧基吡啶(93560-55-5)物化性质

实验特性

  • LogP : 1.69480
  • PSA : 22.12000
  • 折射率 : 1.598
  • 沸点 : 271 ºC
  • 熔点 : 57-61°C
  • 闪点 : 118 ºC
  • 颜色与性状 : 白色固体
  • 溶解性 : 不溶于水
  • 敏感性 : Light Sensitive
  • 密度 : 1.825

计算特性

  • 精确分子量 : 234.94900
  • 氢键供体数量 : 0
  • 氢键受体数量 : 2
  • 可旋转化学键数量 : 1
  • 同位素质量 : 234.949
  • 重原子数量 : 9
  • 复杂度 : 89.1
  • 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
  • 疏水参数计算参考值(XlogP) : 无
  • 互变异构体数量 : 无
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 22.1A^2

2-碘-3-甲氧基吡啶(93560-55-5)安全信息

2-碘-3-甲氧基吡啶(93560-55-5)推荐厂家 更多厂家(18)

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
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上海一基实业有限公司 13311756131
021-60548336 QQ:2355265332 QQ:2851717387
胡经理 2355265332
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上海一基实业有限公司 13311756052
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上海腾准生物科技有限公司 19821570922
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上海绩祥生物科技有限公司 13093077543陆经理 3985448220
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赫澎(上海)生物科技有限公司 13122891558
186-16545970
张硕 3418426269
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金锦乐(湖南)化学有限公司 金锦乐 1226360695
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上海甄准生物科技有限公司 13816009161
021-68920155
姜经理13816009161 3001086693
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广东翁江化学试剂有限公司 13927875076
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罗雪云 3007432263
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江苏艾康生物医药研发有限公司 18795912720
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杨情情 3004779232
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2-碘-3-甲氧基吡啶(93560-55-5)合成路线

合成路线:1 步
反应条件:
参考文献:
One-Pot Iodination of Hydroxypyridines
Maloney, Kevin M.; Nwakpuda, Emily; Kuethe, Jeffrey T.; Yin, Jingjun, Journal of Organic Chemistry, 2009, 74(14), 5111-5114
合成路线:1 步
反应条件:
参考文献:
New syntheses of orelline and analogues via metalation and cross-coupling reactions
Mongin, Florence; Trecourt, Francois; Mongin, Olivier; Queguiner, Guy, Tetrahedron, 2002, 58(2), 309-314
合成路线:1 步
反应条件:
参考文献:
Preparation, X-ray Structure, and Reactivity of 2-Iodylpyridines: Recyclable Hypervalent Iodine(V) Reagents
Yoshimura, Akira; Banek, Christopher T.; Yusubov, Mekhman S.; Nemykin, Victor N.; Zhdankin, Viktor V., Journal of Organic Chemistry, 2011, 76(10), 3812-3819
合成路线:1 步
反应条件:
参考文献:
Solid-state fluorescence of zwitterionic imidazolium pyridinolates bearing long alkyl chains: Control of emission properties based on variation of lamellar alignment
Yoshida, Atsushi; Ikeshita, Masahiro; Komiya, Naruyoshi; Naota, Takeshi, Tetrahedron, 2017, 73(41), 6000-6007
合成路线:1 步
反应条件:
参考文献:
Photochemical synthesis and properties of axially chiral naphthylpyridines
Wessig, Pablo; Pick, Charlotte, Journal of Photochemistry and Photobiology, 2011, 222(1), 263-265
合成路线:1 步
反应条件:
参考文献:
Homoleptic Zincate-Promoted Room-Temperature Halogen-Metal Exchange of Bromopyridines
Chau, Nguyet Trang Thanh; Meyer, Maxime; Komagawa, Shinsuke; Chevallier, Floris; Fort, Yves; et al, Chemistry - A European Journal, 2010, 16(41), 12425-12433
合成路线:1 步
反应条件:
参考文献:
A General Method for Copper-Catalyzed Arene Cross-Dimerization
Do, Hien-Quang; Daugulis, Olafs, Journal of the American Chemical Society, 2011, 133(34), 13577-13586
合成路线:1 步
反应条件:
参考文献:
Preparation of cholesteryl ester transfer protein (CETP) inhibitors
, World Intellectual Property Organization, , ,
合成路线:1 步
参考文献:
A Concise Synthesis of the Differentiating Antibiotic L-Azatyrosine. [Erratum to document cited in CA123:286585]
Ye, Bin; Burke, Terrence R. Jr., Journal of Organic Chemistry, 1998, 63(2),
合成路线:1 步
反应条件:
参考文献:
Deprotometalation of substituted pyridines and regioselectivity-computed CH acidity relationships
Hedidi, Madani; Bentabed-Ababsa, Ghenia; Derdour, Aicha; Halauko, Yury S.; Ivashkevich, Oleg A.; et al, Tetrahedron, 2016, 72(17), 2196-2205
合成路线:1 步
反应条件:
参考文献:
Deprotonative Metalation of Methoxy-Substituted Arenes Using Lithium 2,2,6,6-Tetramethylpiperidide: Experimental and Computational Study
Akimoto, Gaku; Otsuka, Mai; Takita, Ryo ; Uchiyama, Masanobu ; Hedidi, Madani; et al, Journal of Organic Chemistry, 2018, 83(21), 13498-13506

2-碘-3-甲氧基吡啶(93560-55-5)相关文献

2-碘-3-甲氧基吡啶(93560-55-5) MSDS

基础信息

  Material Safety Data Sheet

Section 1. Identi?cation of the substance
  2-Iodo-3-methoxypyridine
    Product Name:
    Synonyms:

Section 2. Hazards identi?cation
    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.
    2-Iodo-3-methoxypyridine
    Ingredient name:
    CAS number:        93560-55-5    

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    
    ?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.    
    Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.
    Ingestion:

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.
    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 speci?ed
    Appearance:
    Boiling point:        No data    
    Melting point:        No data    
    Flash point:        No data    
    Density:        No data    
    Molecular formula:        C6H6INO    
    Molecular weight:        235.0    

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, hydrogen Iodide.

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