摩熵化学
数据库官网
小程序
打开微信扫一扫
首页 分子通 化学资讯 化学百科 反应查询 关于我们
请输入关键词

3-氯-5-甲氧基吡啶 | 95881-83-7

中文名称
3-氯-5-甲氧基吡啶
中文别名
——
英文名称
3-chloro-5-methoxypyridine
英文别名
5-chloro-3-methoxypyridine
3-氯-5-甲氧基吡啶化学式
CAS
95881-83-7
化学式
C6H6ClNO
mdl
MFCD09910244
分子量
143.573
InChiKey
TXBHLLHHHQAFNN-UHFFFAOYSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

物化性质

  • 熔点:
    40 °C
  • 沸点:
    198.4±20.0 °C(Predicted)
  • 密度:
    1.210±0.06 g/cm3(Predicted)

计算性质

  • 辛醇/水分配系数(LogP):
    1.5
  • 重原子数:
    9
  • 可旋转键数:
    1
  • 环数:
    1.0
  • sp3杂化的碳原子比例:
    0.166
  • 拓扑面积:
    22.1
  • 氢给体数:
    0
  • 氢受体数:
    2

安全信息

  • 危险等级:
    IRRITANT
  • 海关编码:
    2933399090
  • WGK Germany:
    3
  • 危险性防范说明:
    P280,P305+P351+P338
  • 危险性描述:
    H302

SDS

SDS:20b1ebb8b24e26b42e94ceb9743aa36c
查看
Material Safety Data Sheet

Section 1. Identification of the substance
Product Name: 3-Chloro-5-methoxypyridine
Synonyms:

Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.

Section 3. Composition/information on ingredients.
Ingredient name: 3-Chloro-5-methoxypyridine
CAS number: 95881-83-7

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.

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.
Store in closed vessels.
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 specified
Boiling point: No data
No data
Melting point:
Flash point: No data
Density: No data
Molecular formula: C6H6ClNO
Molecular weight: 143.6

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, hydrogen chloride.

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

上下游信息

反应信息

  • 作为反应物:
    参考文献:
    名称:
    抗肿瘤蒽吡唑的羟基取代氮杂类似物的合成
    摘要:
    已开发出导致抗肿瘤蒽吡唑的环羟基化氮杂类似物的合成路线,即2,5-双[(氨基烷基)氨基]取代的10-羟基mdazolo [3,4- fg ]异喹啉-6(2 H)-一个1和7-hydroxyindazolo [4,3- gh ] isoquinolin-6(2 H)-ones 2。已经完成了6,9-二卤代-4-羟基苯并[ g ]异喹啉3和4的区域特异性合成。中间体3是通过多步过程构建的,涉及苯甲酰基丙烯酸酯的Diels-Alder化学,而中间体4是使用Ni(II)介导的3-氯-5-甲氧基异烟酸甲酯(15b)中含有衍生自2-氟-5-氯苄基溴的有机锌试剂18(17)。在用对甲氧基苄基部分保护羟基后,在10和20中存在的离去基团的不同核官能度分别允许被取代的肼和胺顺序置换,从而得到所需的对甲氧基苄基保护的类似物12和22。脱保护导致侧臂改性的化合物1和2。的位移部21a和21b中与N,N--二甲基
    DOI:
    10.1002/jhet.5570350419
  • 作为产物:
    描述:
    甲醇3,5-二氯吡啶sodium 作用下, 以 N,N-二甲基甲酰胺 为溶剂, 反应 1.5h, 以81%的产率得到3-氯-5-甲氧基吡啶
    参考文献:
    名称:
    抗肿瘤蒽吡唑的羟基取代氮杂类似物的合成
    摘要:
    已开发出导致抗肿瘤蒽吡唑的环羟基化氮杂类似物的合成路线,即2,5-双[(氨基烷基)氨基]取代的10-羟基mdazolo [3,4- fg ]异喹啉-6(2 H)-一个1和7-hydroxyindazolo [4,3- gh ] isoquinolin-6(2 H)-ones 2。已经完成了6,9-二卤代-4-羟基苯并[ g ]异喹啉3和4的区域特异性合成。中间体3是通过多步过程构建的,涉及苯甲酰基丙烯酸酯的Diels-Alder化学,而中间体4是使用Ni(II)介导的3-氯-5-甲氧基异烟酸甲酯(15b)中含有衍生自2-氟-5-氯苄基溴的有机锌试剂18(17)。在用对甲氧基苄基部分保护羟基后,在10和20中存在的离去基团的不同核官能度分别允许被取代的肼和胺顺序置换,从而得到所需的对甲氧基苄基保护的类似物12和22。脱保护导致侧臂改性的化合物1和2。的位移部21a和21b中与N,N--二甲基
    DOI:
    10.1002/jhet.5570350419
点击查看最新优质反应信息

文献信息

  • FURO- AND THIENO-PYRIDINE CARBOXAMIDE COMPOUNDS USEFUL AS PIM KINASE INHIBITORS
    申请人:Incyte Corporation
    公开号:US20150057265A1
    公开(公告)日:2015-02-26
    The present disclosure describes furo- and thieno-pyridine carboxamide compounds, as well as their compositions and methods of use. The compounds inhibit the activity of the Pim kinases, and are useful in the treatment of diseases related to the activity of Pim kinases including, e.g., cancer and other diseases.
    本公开描述了呋喃和噻吩吡啶羧酰胺化合物,以及它们的组合物和使用方法。这些化合物抑制Pim激酶的活性,并且在治疗与Pim激酶活性相关的疾病方面具有用处,例如癌症和其他疾病。
  • 8-AZABICYCLO[3.2.1]OCTANE-8-CARBOXAMIDE DERIVATIVE
    申请人:Horiuchi Yoshihiro
    公开号:US20120225876A1
    公开(公告)日:2012-09-06
    Disclosed is a compound represented by formula (1) or a pharmacologically acceptable salt thereof (In the formula, A represents a group that is represented by formula (A-1); R 1a and R 1b may be the same or different and each independently represents a C 1-6 alkyl group which may be substituted by one to three halogen atoms; m and n each independently represents an integer of 0-5; X 1 represents a hydroxyl group or an aminocarbonyl group; Z 1 represents a single bond or the like; and R 2 represents an optionally substituted C 1-6 alkyl group, an optionally substituted C 6-10 aryl group or the like.)
    公开了一种由公式(1)表示的化合物或其药理可接受的盐(在公式中,A代表由公式(A-1)表示的基团;R1a和R1b可以相同或不同,每个独立地表示一个可以由一个到三个卤素原子取代的C1-6烷基;m和n各自独立地表示0-5之间的整数;X1代表羟基或氨基甲酰基;Z1代表单键等;R2代表一个可选地取代的C1-6烷基,一个可选地取代的C6-10芳基等)。
  • [EN] AZETIDINES AND CYCLOBUTANES AS HISTAMINE H3 RECEPTOR ANTAGONISTS<br/>[FR] AZÉTIDINES ET CYCLOBUTANES COMME ANTAGONISTES DES RÉCEPTEURS H3 DE L'HISTAMINE
    申请人:EVOTEC NEUROSCIENCES GMBH
    公开号:WO2009135842A1
    公开(公告)日:2009-11-12
    The invention relates to compounds of formula (I) wherein R, R0, R1, m, n and X1 to X4 have the meaning as cited in the description and the claims. Said compounds are useful as Histamine H3 receptor antagonists. The invention also relates to pharmaceutical compositions, the preparation of such compounds as well as the production and use as medicament.
    本发明涉及具有式(I)的化合物,其中R,R0,R1,m,n和X1至X4如描述和权利要求中所引述的含义。所述化合物作为组胺H3受体拮抗剂是有用的。本发明还涉及药物组合物,以及此类化合物的制备以及作为药品的生产和使用。
  • [EN] 2-CYANOPYRROLOPYRIMIDINES AND PHARMACEUTICAL USES THEREOF<br/>[FR] 2-CYANOPYRROLOPYRIMIDINES ET UTILISATIONS PHARMACEUTIQUES DE CELLES-CI
    申请人:NOVARTIS AG
    公开号:WO2004069256A1
    公开(公告)日:2004-08-19
    The invention relates to pyrrolo pyrimidines of formula (I), wherein Y represents -(CH2)t-O- or -(CH2)r-S-, p is 1 or 2, r is 1, 2 or 3, t is 1, 2 or 3, or Y is -(CH2)j- or -CH=CH-, j is 1 or 2; p is 1 or 2, or Y is -(CH2)f-, f is 1 or 2, p is 1, and the further radicals and symbols have the meaning as defined herein; their preparation, their use as pharmaceuticals, pharmaceutical compositions containing them, the use of such a compound for the manufacture of a pharmaceutical preparation for the treatment of neuropathic pain and to a method for the treatment of such a disease in animals, especially in humans.
    该发明涉及公式(I)中的吡咯嘧啶,其中Y代表-(CH2)t-O-或-(CH2)r-S-,p为1或2,r为1、2或3,t为1、2或3,或Y为-(CH2)j-或-CH=CH-,j为1或2;p为1或2,或Y为-(CH2)f-,f为1或2,p为1,以及进一步的基团和符号具有如本文所定义的含义;它们的制备,它们作为药物的用途,含有它们的药物组合物,利用这种化合物制备用于治疗神经病性疼痛的药物制剂的用途,以及用于治疗这种疾病的方法在动物中,尤其是在人类中。
  • New Ligands with Affinity for the α<sub>4</sub>β<sub>2</sub> Subtype of Nicotinic Acetylcholine Receptors. Synthesis, Receptor Binding, and 3D-QSAR Modeling
    作者:Karine Audouze、Elsebet Østergaard Nielsen、Gunnar M. Olsen、Philip Ahring、Tino Dyhring Jørgensen、Dan Peters、Tommy Liljefors、Thomas Balle
    DOI:10.1021/jm058058h
    日期:2006.6.1
    of the nicotinic acetylcholine receptors. The results reveal that hydrogen bonding from both hydrogens on the protonated amine and from the pyridine nitrogen to a water molecule as well as van der Waals interactions between the substituent bearing the protonated amine and the receptor is of importance for ligand affinity. The combination of 3D-QSAR and homology modeling proved successful for the interpretation
    在以前的计算研究结果的基础上,合成了一系列对烟碱乙酰胆碱受体α4β2亚型具有亲和力的哌嗪,二氮杂pan,重氮azo,重氮杂双环壬烷和重氮杂双环癸烷。使用GRID / GOLPE方法开发了预测性3D-QSAR模型(​​R2 = 0.94,Q2 = 0.83,SDEP = 0.34)。SAR是根据PLS系数的轮廓图和烟碱型乙酰胆碱受体的alpha4beta2亚型的同源性模型来解释的。结果表明,从质子化胺上的氢和从吡啶氮到水分子的氢键以及带有质子化胺的取代基和受体之间的范德华相互作用对于配体亲和力都是重要的。
查看更多