4-甲氧基吡啶-2-氨甲酸叔丁酯 | 551950-46-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 4-甲氧基吡啶-2-氨甲酸叔丁酯
• 中文别名: (4-甲氧基-2-吡啶)氨基甲酸叔丁酯
• 英文名称: tert-butyl N-(4-methoxypyridin-2-yl)carbamate
• 英文别名: tert-butyl 4-methoxypyridin-2-yl-carbamate；2-Boc-amino-4-methoxypyridine；(4-Methoxy-pyridin-2-yl)-carbamic acid tert-butyl ester
• CAS: 551950-46-0
• 化学式: C₁₁H₁₆N₂O₃
• 分子量: 224.26
• InChiKey: APPULKDYZGWMNP-UHFFFAOYSA-N

物化性质

• 熔点：
  124-127°C

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  60.4
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 危险等级：
  IRRITANT
• 危险品标志：
  Xi
• 海关编码：
  2933399090
• 危险标志：
  GHS07
• 危险性描述：
  H302

SDS

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SECTION 1: Identification of the substance/mixture and of the company/undertaking
Product identifiers
Product name : (4-Methoxy-Pyridin-2-Yl)-Carbamic Acid Tert-Butyl
Ester
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

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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.

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SECTION 3: Composition/information on ingredients
Substances
Molecular weight : 224,26 g/mol
Hazardous ingredients according to Regulation (EC) No 1272/2008
Component Classification Concentration
(4-Methoxy-Pyridin-2-Yl)-Carbamic Acid Tert-Butyl Ester
Acute Tox. 4; H302 <= 100 %
Hazardous ingredients according to Directive 1999/45/EC
Component Classification Concentration
(4-Methoxy-Pyridin-2-Yl)-Carbamic Acid Tert-Butyl Ester
Xn, R22 <= 100 %
For the full text of the H-Statements and R-Phrases mentioned in this Section, see Section 16

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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

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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

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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.

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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

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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.

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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

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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
No data available
Hazardous decomposition products
In the event of fire: see section 5

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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

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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

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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.

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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

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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

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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：

  4-甲氧基吡啶-2-氨甲酸叔丁酯 在 三氟乙酸酐 作用下， 以 甲苯 为溶剂， 反应 5.0h， 以67%的产率得到2-氨基-4-甲氧基吡啶
  参考文献：
  名称：

  IMPROVED PROCEDURES FOR PREPARATION OF 4-HYDROXY- AND 2-AMINO-4-METHOXY-2-AMINOPYRIDINES

  摘要：

  DOI：

  10.1080/00304949709355174
• 作为产物：
  描述：

  4-甲氧基吡啶-2-甲酸甲酯 在 亚硝酸特丁酯 、 三氟乙酸酐 、 肼 作用下， 以 四氢呋喃 、 甲醇 、 甲苯 为溶剂， 反应 17.5h， 生成 4-甲氧基吡啶-2-氨甲酸叔丁酯
  参考文献：
  名称：

  IMPROVED PROCEDURES FOR PREPARATION OF 4-HYDROXY- AND 2-AMINO-4-METHOXY-2-AMINOPYRIDINES

  摘要：

  DOI：

  10.1080/00304949709355174

文献信息

• [EN] 2,4-DIAMINO-PYRIMIDINE DERIVATIVES<br/>[FR] DÉRIVÉS DE 2,4-DIAMINO-PYRIMIDINE
  申请人：ASTRAZENECA AB

  公开号：WO2009010794A1

  公开（公告）日：2009-01-22

  The invention concerns compounds of Formula (I), or a pharmaceutically acceptable salt thereof, where R1, Q, R3, and R4 are as defined in the description. The present invention also relates to processes for the preparation ofsuch compounds, pharmaceutical compositions containing them and their use in the manufacture of a medicament for use as an antiproliferative agent in the prevention or treatment of tumours or other proliferative conditions which are sensitive to the inhibition of EphB4 kinases.

  本发明涉及式(I)化合物，或其药用可接受盐，其中R1、Q、R3和R4如描述中定义。本发明还涉及制备此类化合物的方法、包含它们的药物组合物以及它们在制造用作抗增殖剂的药物中的应用，用于预防或治疗对EphB4激酶抑制敏感的肿瘤或其他增殖性疾病。
• [EN] HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF<br/>[FR] COMPOSÉS HÉTÉROARYLES ET LEURS PROCÉDÉS D'UTILISATION
  申请人：SUNOVION PHARMACEUTICALS INC

  公开号：WO2013192273A1

  公开（公告）日：2013-12-27

  Provided herein are heteroaryl compounds, methods of their synthesis, pharmaceutical compositions comprising the compounds, and methods of their use. In one embodiment, the compounds provided herein are useful for the treatment, prevention, and/or management of various disorders, such as CNS disorders and metabolic disorders, including, but not limited to, e.g., neurological disorders, psychosis, schizophrenia, obesity, and diabetes.

  本文提供了杂环芳基化合物，其合成方法，包含这些化合物的药物组合物，以及它们的使用方法。在一个实施例中，本文提供的化合物可用于治疗、预防和/或管理各种疾病，如中枢神经系统疾病和代谢性疾病，包括但不限于神经系统疾病、精神病、精神分裂症、肥胖症和糖尿病。
• [EN] INTEGRIN TARGETING LIGANDS AND USES THEREOF<br/>[FR] LIGANDS CIBLANT UNE INTÉGRINE ET LEURS UTILISATIONS
  申请人：ARROWHEAD PHARMACEUTICALS INC

  公开号：WO2022056286A1

  公开（公告）日：2022-03-17

  Synthetic ανβ6 integrin ligands of Formula (I) having serum stability and affinity for integrin ανβ6, which is a receptor expressed in a variety of cell types, are described. The described ligands are usful for delivering cargo molecules, such as RNAi agents or other oligonucleotide-based compounds, to cells that express integrin ανβ6, and thereby facilitating the uptake of the cargo molecules into these cells. Compositions that include ανβ6 integrin ligands and methods of use are also described Formula (I).

  本文描述了具有血清稳定性和与细胞表达的受体ανβ6亲和力的合成ανβ6整合素配体的公式（I）。所述配体可用于向表达ανβ6整合素的细胞输送载荷分子，例如RNAi剂或其他基于寡核苷酸的化合物，从而促进这些细胞对载荷分子的摄取。本文还描述了包括ανβ6整合素配体的组合物和使用方法。
• [EN] SKELETAL MUSCLE DELIVERY PLATFORMS AND METHODS OF USE<br/>[FR] PLATEFORMES D'ADMINISTRATION À DES MUSCLES SQUELETTIQUES ET MÉTHODES D'UTILISATION
  申请人：ARROWHEAD PHARMACEUTICALS INC

  公开号：WO2022056269A1

  公开（公告）日：2022-03-17

  The present disclosure relates to delivery platforms that specifically and efficiently direct payloads to skeletal muscle cells in a subject, in vivo. The delivery platforms diclosed herein include targeting ligands (such as compounds that have affinity for integrins, including alpha- v-beta-6) and pharmacokinetic/pharmacodynamic (PK/PD) modulators, to facilitate the delivery of payloads to cells, including to skeletal muscle cells. Suitable payloads for use in the delivery platforms disclosed herein include RNAi agents, which can be linked or conjugated to the delivery platofrms, and when delivered in vivo, provide for the inhibition of gene expression in skeletal muscle cells. Pharmaceutical compositions that include the skeletal muscle cell delivery platform are also described, as well as methods of use for the treatment of various diseases and disorders where delivery of a therapeutic payload to a skeletal muscle cell is desirable.

  本公开涉及将有效载荷有针对性地且高效地引导至体内骨骼肌细胞的传递平台。所述传递平台包括靶向配体（例如具有亲和力的化合物，包括α-v-β-6整合素）和药代动力学/药效学（PK/PD）调节剂，以促进有效载荷传递到细胞，包括骨骼肌细胞。适用于本公开的传递平台的有效载荷包括RNAi剂，可以链接或结合到传递平台上，在体内传递时，可以抑制骨骼肌细胞的基因表达。还描述了包括骨骼肌细胞传递平台的药物组合物，以及用于治疗各种疾病和疾病的方法，其中传递治疗有效载荷至骨骼肌细胞是可取的。
• PHENYLALANINE DERIVATIVES
  申请人：Arnould Jean-Claude

  公开号：US20080045521A1

  公开（公告）日：2008-02-21

  The present invention relates to compounds that inhibit of a5b1 function, processes for their preparation, pharmaceutical compositions containing them as the active ingredient, to their use as medicaments and to their use in the manufacture of medicaments for use in the treatment in warm-blooded animals such as humans of diseases that have a significant angiogenesis or vascular component such as for treatment of solid tumours. The present invention also relates to a5b1 antagonists that also exhibit appropriate selectivity profile(s) against other integrins.

  本发明涉及抑制a5b1功能的化合物，其制备过程，含有其作为活性成分的制药组合物，以及它们作为药物在温血动物（如人类）中治疗具有明显血管生成或血管成分的疾病，例如固体肿瘤的制药用途。本发明还涉及a5b1拮抗剂，其还表现出对其他整合素的适当选择性特征。