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2-(环丙基甲氧基)-3-碘吡啶 | 766557-62-4

中文名称
2-(环丙基甲氧基)-3-碘吡啶
中文别名
2-环丙基甲氧基-3-碘吡啶
英文名称
2-cyclopropylmethoxy-3-iodopyridine
英文别名
2-(Cyclopropylmethoxy)-3-iodopyridine
2-(环丙基甲氧基)-3-碘吡啶化学式
CAS
766557-62-4
化学式
C9H10INO
mdl
MFCD06659010
分子量
275.089
InChiKey
ILSBVXOYWKUWLJ-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

  • 沸点:
    303.7±27.0 °C(Predicted)
  • 密度:
    1.741±0.06 g/cm3(Predicted)
  • 稳定性/保质期:
    按规定使用和贮存的不会分解,避免接触氧化物。

计算性质

  • 辛醇/水分配系数(LogP):
    2.6
  • 重原子数:
    12
  • 可旋转键数:
    3
  • 环数:
    2.0
  • sp3杂化的碳原子比例:
    0.444
  • 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
  • 危险品标志:
    Xi
  • 危险类别码:
    R22
  • 海关编码:
    2933399090
  • WGK Germany:
    3

SDS

SDS:9f896666a3a3855c06a03c50cfa56928
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SECTION 1: Identification of the substance/mixture and of the company/undertaking
Product identifiers
Product name : 2-Cyclopropylmethoxy-3-Iodo-Pyridine
REACH No. : A registration number is not available for this substance as the substance
or its uses are exempted from registration, the annual tonnage does not
require a registration or the registration is envisaged for a later
registration deadline.
Relevant identified uses of the substance or mixture and uses advised against
Identified uses : Laboratory chemicals, Manufacture of substances



SECTION 2: Hazards identification
Classification of the substance or mixture
Classification according to Regulation (EC) No 1272/2008
Acute toxicity, Oral (Category 4), H302
For the full text of the H-Statements mentioned in this Section, see Section 16.
Classification according to EU Directives 67/548/EEC or 1999/45/EC
Xn Harmful R22
For the full text of the R-phrases mentioned in this Section, see Section 16.
Label elements
Labelling according Regulation (EC) No 1272/2008
Pictogram
Signal word Warning
Hazard statement(s)
H302 Harmful if swallowed.
Precautionary statement(s) none
Supplemental Hazard none
Statements
Other hazards
This substance/mixture contains no components considered to be either persistent, bioaccumulative and
toxic (PBT), or very persistent and very bioaccumulative (vPvB) at levels of 0.1% or higher.

SECTION 3: Composition/information on ingredients
Substances
Molecular weight : 275,08 g/mol
Hazardous ingredients according to Regulation (EC) No 1272/2008
Component Classification Concentration
2-Cyclopropylmethoxy-3-Iodo-Pyridine
Acute Tox. 4; H302 <= 100 %
Hazardous ingredients according to Directive 1999/45/EC
Component Classification Concentration
2-Cyclopropylmethoxy-3-Iodo-Pyridine
Xn, R22 <= 100 %
For the full text of the H-Statements and R-Phrases mentioned in this Section, see Section 16

SECTION 4: First aid measures
Description of first aid measures
General advice
Consult a physician. Show this safety data sheet to the doctor in attendance.
If inhaled
If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician.
In case of skin contact
Wash off with soap and plenty of water. Consult a physician.
In case of eye contact
Flush eyes with water as a precaution.
If swallowed
Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician.
Most important symptoms and effects, both acute and delayed
The most important known symptoms and effects are described in the labelling (see section 2.2) and/or in
section 11
Indication of any immediate medical attention and special treatment needed
No data available

SECTION 5: Firefighting measures
Extinguishing media
Suitable extinguishing media
Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
Special hazards arising from the substance or mixture
Nature of decomposition products not known.
Advice for firefighters
Wear self-contained breathing apparatus for firefighting if necessary.
Further information
No data available

SECTION 6: Accidental release measures
Personal precautions, protective equipment and emergency procedures
Use personal protective equipment. Avoid dust formation. Avoid breathing vapours, mist or gas. Ensure
adequate ventilation. Avoid breathing dust.
For personal protection see section 8.
Environmental precautions
Do not let product enter drains.
Methods and materials for containment and cleaning up
Pick up and arrange disposal without creating dust. Sweep up and shovel. Keep in suitable, closed
containers for disposal.
Reference to other sections
For disposal see section 13.

SECTION 7: Handling and storage
Precautions for safe handling
Avoid contact with skin and eyes. Avoid formation of dust and aerosols.
Provide appropriate exhaust ventilation at places where dust is formed.
For precautions see section 2.2.
Conditions for safe storage, including any incompatibilities
Store in cool place. Keep container tightly closed in a dry and well-ventilated place.
Storage class (TRGS 510): Non Combustible Solids
Specific end use(s)
Apart from the uses mentioned in section 1.2 no other specific uses are stipulated

SECTION 8: Exposure controls/personal protection
Control parameters
Components with workplace control parameters
Exposure controls
Appropriate engineering controls
Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and
at the end of workday.
Personal protective equipment
Eye/face protection
Safety glasses with side-shields conforming to EN166 Use equipment for eye protection tested
and approved under appropriate government standards such as NIOSH (US) or EN 166(EU).
Skin protection
Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique
(without touching glove's outer surface) to avoid skin contact with this product. Dispose of
contaminated gloves after use in accordance with applicable laws and good laboratory practices.
Wash and dry hands.
The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and
the standard EN 374 derived from it.
Body Protection
Complete suit protecting against chemicals, The type of protective equipment must be selected
according to the concentration and amount of the dangerous substance at the specific workplace.
Respiratory protection
For nuisance exposures use type P95 (US) or type P1 (EU EN 143) particle respirator.For higher
level protection use type OV/AG/P99 (US) or type ABEK-P2 (EU EN 143) respirator cartridges.
Use respirators and components tested and approved under appropriate government standards
such as NIOSH (US) or CEN (EU).
Control of environmental exposure
Do not let product enter drains.

SECTION 9: Physical and chemical properties
Information on basic physical and chemical properties
a) Appearance Form: solid
b) Odour No data available
c) Odour Threshold No data available
d) pH No data available
e) Melting point/freezing No data available
point
f) Initial boiling point and No data available
boiling range
g) Flash point No data available
h) Evaporation rate No data available
i) Flammability (solid, gas) No data available
j) Upper/lower No data available
flammability or
explosive limits
k) Vapour pressure No data available
l) Vapour density No data available
m) Relative density No data available
n) Water solubility No data available
o) Partition coefficient: n- No data available
octanol/water
p) Auto-ignition No data available
temperature
q) Decomposition No data available
temperature
r) Viscosity No data available
s) Explosive properties No data available
t) Oxidizing properties No data available
Other safety information
No data available

SECTION 10: Stability and reactivity
Reactivity
No data available
Chemical stability
Stable under recommended storage conditions.
Possibility of hazardous reactions
No data available
Conditions to avoid
No data available
Incompatible materials
Strong oxidizing agents
Hazardous decomposition products
In the event of fire: see section 5

SECTION 11: Toxicological information
Information on toxicological effects
Acute toxicity
No data available
Skin corrosion/irritation
No data available
Serious eye damage/eye irritation
No data available
Respiratory or skin sensitisation
No data available
Germ cell mutagenicity
No data available
Carcinogenicity
IARC: No component of this product present at levels greater than or equal to 0.1% is identified as
probable, possible or confirmed human carcinogen by IARC.
Reproductive toxicity
No data available
Specific target organ toxicity - single exposure
No data available
Specific target organ toxicity - repeated exposure
No data available
Aspiration hazard
No data available
Additional Information
RTECS: Not available
To the best of our knowledge, the chemical, physical, and toxicological properties have not been
thoroughly investigated.

SECTION 12: Ecological information
Toxicity
No data available
Persistence and degradability
No data available
Bioaccumulative potential
No data available
Mobility in soil
No data available
Results of PBT and vPvB assessment
This substance/mixture contains no components considered to be either persistent, bioaccumulative and
toxic (PBT), or very persistent and very bioaccumulative (vPvB) at levels of 0.1% or higher.
Other adverse effects
No data available

SECTION 13: Disposal considerations
Waste treatment methods
Product
Offer surplus and non-recyclable solutions to a licensed disposal company. Dissolve or mix the material
with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber.
Contaminated packaging
Dispose of as unused product.

SECTION 14: Transport information
UN number
ADR/RID: - IMDG: - IATA: -
UN proper shipping name
ADR/RID: Not dangerous goods
IMDG: Not dangerous goods
IATA: Not dangerous goods
Transport hazard class(es)
ADR/RID: - IMDG: - IATA: -
Packaging group
ADR/RID: - IMDG: - IATA: -
Environmental hazards
ADR/RID: no IMDG Marine pollutant: no IATA: no
Special precautions for user
No data available

SECTION 15: Regulatory information
This safety datasheet complies with the requirements of Regulation (EC) No. 1907/2006.
Safety, health and environmental regulations/legislation specific for the substance or mixture
No data available
Chemical Safety Assessment
For this product a chemical safety assessment was not carried out

SECTION 16: Other information
Full text of H-Statements referred to under sections 2 and 3.
Acute Tox. Acute toxicity
H302 Harmful if swallowed.
Full text of R-phrases referred to under sections 2 and 3
Xn Harmful
R22 Harmful if swallowed.
Further information
Copyright 2014 Co. LLC. License granted to make unlimited paper copies for internal use
only.
The above information is believed to be correct but does not purport to be all inclusive and shall be
used only as a guide. The information in this document is based on the present state of our knowledge
and is applicable to the product with regard to appropriate safety precautions. It does not represent any
guarantee of the properties of the product. Corporation and its Affiliates shall not be held
liable for any damage resulting from handling or from contact with the above product. See
and/or the reverse side of invoice or packing slip for additional terms and conditions of sale.

反应信息

  • 作为反应物:
    描述:
    2-(环丙基甲氧基)-3-碘吡啶盐酸 作用下, 以 甲苯 为溶剂, 25.0 ℃ 、101.33 kPa 条件下, 以83 %的产率得到3-碘吡啶-2(1H)-酮
    参考文献:
    名称:
    (环丙基甲氧基)嗪醚制备吖嗪酮
    摘要:
    介绍了用于合成 azinones 的通用且方便的程序。环丙基甲醇很容易被引入到各种吖嗪中,它既可以作为羟基的保护基,也可以作为羟基的替代物。酸性脱保护后,在温和的反应条件下,相应的吖酮形成并以优异的收率分离。包括超过 20 个示例以及对反应优化、范围和机制的讨论。
    DOI:
    10.1021/acs.joc.3c00145
  • 作为产物:
    描述:
    羟甲基环丙烷2-氟-3-碘吡啶 在 sodium hydride 作用下, 以 N,N-二甲基甲酰胺 、 mineral oil 为溶剂, 反应 1.5h, 以83%的产率得到2-(环丙基甲氧基)-3-碘吡啶
    参考文献:
    名称:
    EP3239143
    摘要:
    公开号:
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文献信息

  • [EN] NOVEL SUBSTITUTED XANTHINE DERIVATIVES<br/>[FR] NOUVEAUX DÉRIVÉS DE XANTHINE SUBSTITUÉS
    申请人:BOEHRINGER INGELHEIM INT
    公开号:WO2019011802A1
    公开(公告)日:2019-01-17
    The present invention relates to substituted xanthine derivatives, pharmaceutical compositions containing them and their use in therapy, particularly in the treatment of conditions having an association with TRPC5 containing ion channels.
    本发明涉及取代的黄嘌呤衍生物、含有它们的药物组合物及其在治疗中的用途,特别是在治疗与含有TRPC5的离子通道相关的病症中的用途。
  • [EN] BIARYL DERIVATIVES AS GPR120 AGONISTS<br/>[FR] DÉRIVÉS DE BIARYLE EN TANT QU'AGONISTES DE GPR120
    申请人:LG LIFE SCIENCES LTD
    公开号:WO2014209034A1
    公开(公告)日:2014-12-31
    The present invention relates to biaryl derivatives of Formula 1, a method for preparing the same, a pharmaceutical composition comprising the same and use thereof. The biaryl derivatives of Formula 1 according to the present invention promote GLP-1 formation in the gastrointestinal tract and improve insulin resistance in the liver or in muscle due to anti-inflammatory action in macrophages, lipocytes, etc., and can accordingly be effectively used for preventing or treating diabetes, complications of diabetes, obesity, non-alcoholic fatty liver, steatohepatitis, osteoporosis or inflammation.
    本发明涉及公式1的联苯衍生物,一种制备该联苯衍生物的方法,包含该联苯衍生物的药物组合物以及其用途。根据本发明的公式1的联苯衍生物促进胃肠道中GLP-1的形成,并由于巨噬细胞、脂肪细胞等中的抗炎作用改善肝脏或肌肉中的胰岛素抵抗,因此可有效用于预防或治疗糖尿病、糖尿病并发症、肥胖、非酒精性脂肪肝、脂肪性肝炎、骨质疏松症或炎症。
  • Indazole compounds
    申请人:Ericsson M. Anna
    公开号:US20070282101A1
    公开(公告)日:2007-12-06
    Novel compounds of Formula (I) or pharmaceutically acceptable salts, prodrugs and biologically active metabolites thereof of Formula (I) wherein the substituents are as defined herein, which are useful as therapeutic agents.
    本发明提供了化合物(I)或其药学上可接受的盐、前药和生物活性代谢物,其中取代基如定义所述,这些化合物可用作治疗剂。
  • Indazole Compounds
    申请人:Ericson Anna M.
    公开号:US20120053345A1
    公开(公告)日:2012-03-01
    Novel compounds of Formula (I) or pharmaceutically acceptable salts, prodrugs and biologically active metabolites thereof of Formula (I) wherein the substituents are as defined herein, which are useful as therapeutic agents.
    本发明涉及化合物(I)或其药学上可接受的盐、前药和生物活性代谢物,其中取代基的定义如本文所述,这些化合物可用作治疗剂。
  • BIARYL DERIVATIVES AS GPR120 AGONISTS
    申请人:LG LIFE SCIENCES LTD.
    公开号:US20160168096A1
    公开(公告)日:2016-06-16
    The present invention relates to biaryl derivatives of Formula 1, a method for preparing the same, a pharmaceutical composition comprising the same and use thereof. The biaryl derivatives of Formula 1 according to the present invention promote GLP-1 formation in the gastrointestinal tract and improve insulin resistance in the liver or in muscle due to anti-inflammatory action in macrophages, lipocytes, etc., and can accordingly be effectively used for preventing or treating diabetes, complications of diabetes, obesity, non-alcoholic fatty liver, steatohepatitis, osteoporosis or inflammation.
    本发明涉及公式1的联苯衍生物,以及制备它们的方法、包含它们的药物组合物和使用方法。根据本发明的公式1的联苯衍生物能够促进胃肠道中的GLP-1形成,并通过对巨噬细胞、脂肪细胞等的抗炎作用改善肝脏或肌肉中的胰岛素抵抗,因此可以有效地用于预防或治疗糖尿病、糖尿病并发症、肥胖症、非酒精性脂肪肝、脂肪性肝炎、骨质疏松或炎症。
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