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2-氨乙基异丙醚 | 81731-43-3

中文名称
2-氨乙基异丙醚
中文别名
2-异丙氧基乙胺;2-氨基乙基异丙醚
英文名称
2-isopropoxyethanamine
英文别名
2-isopropoxyethan-1-amine;2-aminoethyl isopropyl ether;2-isopropoxyethylamine;2-propan-2-yloxyethanamine
2-氨乙基异丙醚化学式
CAS
81731-43-3
化学式
C5H13NO
mdl
MFCD00191603
分子量
103.164
InChiKey
USECIYVEPXUVHT-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:
    120°C
  • 密度:
    0,84 g/cm3

计算性质

  • 辛醇/水分配系数(LogP):
    -0.1
  • 重原子数:
    7
  • 可旋转键数:
    3
  • 环数:
    0.0
  • sp3杂化的碳原子比例:
    1.0
  • 拓扑面积:
    35.2
  • 氢给体数:
    1
  • 氢受体数:
    2

安全信息

  • 危险等级:
    IRRITANT
  • 危险品标志:
    Xi
  • 安全说明:
    S16,S26,S36,S37,S39
  • 危险类别码:
    R11,R34
  • 危险品运输编号:
    UN 2733
  • 海关编码:
    2922199090
  • 包装等级:
    III
  • 危险类别:
    3,8
  • 危险性防范说明:
    P280,P305+P351+P338,P310
  • 危险性描述:
    H225,H314
  • 储存条件:
    室温且干燥

SDS

SDS:f770ab220760fad022fe9ec303b4656a
查看
2-Aminoethyl Isopropyl Ether
SAFETY DATA SHEET

Section 1. IDENTIFICATION OF THE SUBSTANCE OR MIXTURE AND OF THE SUPPLIER
Product name: 2-Aminoethyl Isopropyl Ether

Section 2. HAZARDS IDENTIFICATION
Classification of the GHS
PHYSICAL HAZARDS
Flammable liquids Category 3
HEALTH HAZARDS
Skin corrosion/irritation Category 1C
Category 1
Serious eye damage/eye irritation
ENVIRONMENTAL HAZARDS Not classified
GHS label elements
Pictograms or hazard symbols
Signal word Danger
Hazard statement Flammable liquid and vapour
Causes severe skin burns and eye damage
Precautionary statements
Keep away from heat/sparks/open flames/hot surfaces. - No smoking.
[Prevention]
Keep container tightly closed.
Use explosion-proof electrical/ventilating/lighting equipment. Take precautionary
measures against ignition by the static discharge and the spark.
Do not breathe.
Wash hands thoroughly after handling.
Wear protective gloves/eye protection/face protection.
[Response] IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for
breathing.
IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.
IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses,
if present and easy to do. Continue rinsing.
IF ON SKIN (or hair): Remove/Take off immediately all contaminated clothing. Rinse
skin with water/shower.
Wash contaminated clothing before reuse.
Immediately call a POISON CENTER or doctor/physician.
[Storage] Store in a well-ventilated place. Keep cool.
Store locked up.
[Disposal] Dispose of contents/container through a waste management company authorized by
the local government
2-Aminoethyl Isopropyl Ether

Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
Substance/mixture: Substance
Component(s): 2-Aminoethyl Isopropyl Ether
Percent: >98.0%(GC)(T)
CAS Number: 81731-43-3
Synonyms: 2-Isopropoxyethylamine
Chemical Formula: C5H13NO

Section 4. FIRST AID MEASURES
Remove victim to fresh air and keep at rest in a position comfortable for breathing.
Inhalation:
Immediately call a POISON CENTER or doctor/physician.
Skin contact: Remove/Take off immediately all contaminated clothing. Gently wash with plenty of
soap and water. Immediately call a POISON CENTER or doctor/physician.
Eye contact: Rinse cautiously with water for several minutes. Remove contact lenses, if present
and easy to do. Continue rinsing.Immediately call a POISON CENTER or
doctor/physician.
Ingestion: Immediately call a POISON CENTER or doctor/physician. Rinse mouth. Do NOT
induce vomiting.
A rescuer should wear personal protective equipment, such as rubber gloves and air-
Protection of first-aiders:
tight goggles.

Section 5. FIRE-FIGHTING MEASURES
Suitable extinguishing Dry chemical, foam, carbon dioxide.
media:
Extinguishing media not to Water (It may scatter and spread fire.)
be used:
Specific hazards: Take care as it may decompose upon combustion or in high temperatures to
generate poisonous fume.
Specific methods: Fire-extinguishing work is done from the windward and the suitable fire-extinguishing
method according to the surrounding situation is used. Uninvolved persons should
evacuate to a safe place. In case of fire in the surroundings: Keep containers cool by
spraying with water. Eliminate all ignition sources if safe to do so.
Special protective When extinguishing fire, be sure to wear personal protective equipment.
equipment for firefighters:

Section 6. ACCIDENTAL RELEASE MEASURES
Personal precautions, Use extra personal protective equipment (self-contained breathing apparatus). Keep
protective equipment and people away from and upwind of spill/leak. Ensure adequate ventilation. Entry to non-
emergency procedures: involved personnel should be controlled around the leakage area by roping off, etc.
Environmental precautions: Prevent product from entering drains.
Methods and materials for Absorb spilled material in dry sand or inert absorbent before recovering it into an
containment and cleaning airtight container. In case of large amount of spillage, contain a spill by bunding.
up: Adhered or collected material should be promptly disposed of, in accordance with
appropriate laws and regulations.
Prevention of secondary Remove all sources of ignition. Fire-extinguishing devices should be prepared in
hazards: case of a fire. Use spark-proof tools and explosion-proof equipment.

Section 7. HANDLING AND STORAGE
Handling
Technical measures: Handling is performed in a well ventilated place. Wear suitable protective equipment.
Prevent generation of vapor or mist. Keep away from heat/sparks/open flame/hot
surfaces. -No smoking. Take measures to prevent the build up of electrostatic
charge. Use explosion-proof equipment. Wash hands and face thoroughly after
handling.
Use a closed system if possible. Use a ventilation, local exhaust if vapor or aerosol
will be generated.
Avoid contact with skin, eyes and clothing.
Advice on safe handling:
2-Aminoethyl Isopropyl Ether

Section 7. HANDLING AND STORAGE
Storage
Keep container tightly closed. Store in a cool, dark and well-ventilated place.
Storage conditions:
Store under inert gas.
Store locked up.
Store away from incompatible materials such as oxidizing agents.
Law is followed.
Packaging material:

Section 8. EXPOSURE CONTROLS / PERSONAL PROTECTION
Engineering controls: Install a closed system or local exhaust. Also install safety shower and eye bath.
Personal protective equipment
Respiratory protection: Half or full facepiece respirator, self-contained breathing apparatus(SCBA), supplied
air respirator, etc. Use respirators approved under appropriate government standards
and follow local and national regulations.
Hand protection: Impervious gloves.
Eye protection: Safety goggles. A face-shield, if the situation requires.
Skin and body protection: Impervious protective clothing. Protective boots, if the situation requires.

Section 9. PHYSICAL AND CHEMICAL PROPERTIES
Liquid
Physical state (20°C):
Form: clear
Color: Colorless - Very pale yellow
Odor: No data available
pH: No data available
Melting point/freezing point:No data available
Boiling Point/Range: 120 °C
Flash Point: No data available
Explosive limits
Lower: No data available
Upper: No data available
Density: 0.84
Solubility: No data available

Section 10. STABILITY AND REACTIVITY
Stable under proper conditions.
Stability:
Reactivity: No special reactivity has been reported.
Air-sensitive
Conditions to avoid:
Incompartible materials: oxidizing agents, acids
Hazardous Decomposition Carbon monoxide, Carbon dioxide, Nitrogen oxides (NOx)
Products:

Section 11. TOXICOLOGICAL INFORMATION
Acute Toxicity: No data available
Skin corrosion/irritation: No data available
Serious eye No data available
damage/irritation:
Germ cell mutagenicity: No data available
Carcinogenicity:
IARC = No data available
NTP = No data available
Reproductive toxicity: No data available

Section 12. ECOLOGICAL INFORMATION
Ecotoxicity:
Fish: No data available
No data available
Crustacea:
Algae: No data available
2-Aminoethyl Isopropyl Ether

Section 12. ECOLOGICAL INFORMATION
Persistence / degradability: No data available
Bioaccumulative No data available
potential(BCF):
Mobillity in soil
log Pow: No data available
No data available
Soil adsorption (Koc):
Henry's Law No data available
constant(PaM3/mol):

Section 13. DISPOSAL CONSIDERATIONS
Recycle to process, if possible. Consult your local regional authorities. You may be able to burn in a chemical
incinerator equipped with an afterburner and scrubber system. Observe all federal, state and local regulations when
disposing of the substance.

Section 14. TRANSPORT INFORMATION
Hazards Class: 3: Flammable liquid.
8: Corrosive.
Subsidiary risk:
UN-No: 2733
Amines, flammable, corrosive, n.o.s.
Proper shipping name:
Packing group: III

Section 15. REGULATORY INFORMATION
Safe management ordinance of dangerous chemical product (State Council announces on January 26,
2002): Safe use and production, the storage of a dangerous chemical, transport, loading and unloading were
prescribed.


SECTION 16 - ADDITIONAL INFORMATION
N/A


反应信息

  • 作为反应物:
    描述:
    2-氨乙基异丙醚 在 sodium tetrahydroborate 、 N-溴代丁二酰亚胺(NBS)正丁基锂 、 nickel(II) chloride hexahydrate 、 oxone||potassium monopersulfate triple salt 、 三乙酰氧基硼氢化钠potassium carbonate溶剂黄146 作用下, 以 四氢呋喃甲醇正己烷1,2-二氯乙烷N,N-二甲基甲酰胺 为溶剂, 反应 24.83h, 生成 5-(4-chloro-1-(2-isopropoxyethyl)-5-(morpholinomethyl)-1 H-benzo[d]imidazol-2-yl)-N,N-diethylpyridin-2-amine
    参考文献:
    名称:
    [EN] 5-(1 H-BENZO[D]IMIDAZO-2-YL)-PYRIDIN-2-AMINE AND 5-(3H-IMIDAZO[4,5-B]PYRIDIN-6-YL)-PYRIDIN-2-AMINE DERIVATIVES AS C-MYC AND P300/CBP HISTONE ACETYLTRANSFERASE INHIBITORS FOR TREATING CANCER
    [FR] DÉRIVÉS DE 5-(1 H-BENZO[D]IMIDAZO-2-YL)-PYRIDIN-2-AMINE ET DE 5-(3H-IMIDAZO[4,5-B]PYRIDIN-6-YL)-PYRIDIN-2-AMINE UTILISÉS EN TANT QU'INHIBITEURS D'HISTONE ACÉTYLTRANSFÉRASE DE C-MYC ET P300/CBP POUR LE TRAITEMENT DU CANCER
    摘要:
    本发明涉及取代的5-(1H-苯并[d]咪唑-2-基)-吡啶-2-胺和5-(3H-咪唑[4,5-b]吡啶-6-基)-吡啶-2-胺衍生物。具体而言,本发明涉及根据公式(lb)的化合物,其中R'、R2'、R3'、R4'、Rs'、R6'、R7'和X1'按本说明书中定义;或其盐,包括药用可接受的盐。本发明的化合物能够降低细胞中的MYC蛋白(c-MYC)和/或抑制p300/CBP组蛋白乙酰转移酶,可用于治疗心肌肥大、糖尿病、肥胖和非酒精性脂肪肝疾病、HIV、多囊肾疾病、炎症性疾病、强直性脊柱炎、银屑病、银屑病关节炎、类风湿性关节炎、克罗恩病、多发性硬化症、癌症和前癌症综合症,以及与Myc失调或p300/CBP组蛋白乙酰转移酶抑制相关的疾病。因此,本发明进一步涉及包含本发明化合物的药物组合物。本发明还进一步公开了使用本发明的化合物或包含本发明化合物的药物组合物,降低细胞中MYC蛋白(c-MYC)和抑制p300/CBP组蛋白乙酰转移酶活性的方法,以及治疗与之相关的疾病的方法。
    公开号:
    WO2019049061A1
  • 作为产物:
    描述:
    参考文献:
    名称:
    Boon, Journal of the Chemical Society, 1947, p. 313
    摘要:
    DOI:
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文献信息

  • [EN] PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF<br/>[FR] INHIBITEURS DE PROTÉINE TYROSINE PHOSPHATASE ET LEURS PROCÉDÉS D'UTILISATION
    申请人:CALICO LIFE SCIENCES LLC
    公开号:WO2020186199A1
    公开(公告)日:2020-09-17
    Provided herein are compounds, compositions, and methods useful for inhibiting protein tyrosine phosphatase, e.g., protein tyrosine phosphatase non-receptor type 2 (PTPN2) and/or protein tyrosine phosphatase non-receptor type 1 (PTPN1), and for treating related diseases, disorders and conditions favorably responsive to PTPN 1 or PTPN2 inhibitor treatment, e.g., a cancer or a metabolic disease.
    本文提供了用于抑制蛋白酪氨酸磷酸酶的化合物、组合物和方法,例如蛋白酪氨酸磷酸酶非受体型2(PTPN2)和/或蛋白酪氨酸磷酸酶非受体型1(PTPN1),以及用于治疗对PTPN1或PTPN2抑制剂治疗有良好反应的相关疾病、紊乱和状况的方法,例如癌症或代谢性疾病。
  • NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS
    申请人:Carroll William A.
    公开号:US20090018114A1
    公开(公告)日:2009-01-15
    The present application relates to cannabinoid receptor ligands containing compounds of formula (I) wherein A, R 1 , R 2 , and R 3 are as defined in the specification. The present application also relates to compositions comprising such compounds, and methods of treating conditions and disorders using such compounds and compositions.
    本申请涉及含有式(I)化合物的大麻素受体配体,其中A、R1、R2和R3如规范中所定义。本申请还涉及包含这种化合物的组合物,以及使用这种化合物和组合物治疗疾病和疾病的方法。
  • SULFONE AMIDE LINKED BENZOTHIAZOLE INHIBITORS OF ENDOTHELIAL LIPASE
    申请人:BRISTOL-MYERS SQUIBB COMPANY
    公开号:US20160326125A1
    公开(公告)日:2016-11-10
    The present invention provides compounds of Formula (I) as defined in the specification and compositions comprising any of such novel compounds. These compounds are endothelial lipase inhibitors which may be used medicaments.
    本发明提供了规范中定义的Formula (I)的化合物以及包含任何此类新化合物的组合物。这些化合物是内皮酶抑制剂,可用作药物。
  • HIV INTEGRASE INHIBITORS
    申请人:ViiV Healthcare Company
    公开号:US20150225399A1
    公开(公告)日:2015-08-13
    The present invention features compounds that are HIV integrase inhibitors and therefore are useful in the inhibition of HIV replication, the prevention and/or treatment of infection by HIV, and in the treatment of AIDS and/or ARC.
    本发明具有作为HIV整合酶抑制剂的化合物,因此在抑制HIV复制、预防及/或治疗HIV感染以及治疗艾滋病及/或艾滋病相关综合症方面具有用途。
  • 미세조류 파괴용 조성물
    申请人:Industry-Academic Cooperation Foundation, Chosun University 조선대학교산학협력단(220050171903) BRN ▼408-82-13419
    公开号:KR101761848B1
    公开(公告)日:2017-07-26
    본 발명은 미세조류 파괴용 조성물에 관한 것으로, 더욱 자세하게는 특정 치환기를 가지는 나프토퀴논 화합물을 함유하는 미세조류 파괴용 조성물에 관한 것이다. 본 발명에 따른 신규한 미세조류 파괴용 조성물은 해양 미세조류 배양장 또는 녹조 또는 적조가 발생된 지역 또는 녹조나 적조 발생 예상 지역에 처리하여 녹조 및 적조 피해를 예방할 수 있는 효과가 있다.
    本发明涉及微藻破坏用配方,更具体地涉及含有特定取代基的萘酮化合物的微藻破坏用配方。根据本发明,新型微藻破坏用配方可在海洋微藻培养场或发生褐藻或红藻的区域或预计发生褐藻或红藻的区域进行处理,以预防褐藻和红藻的损害。
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表征谱图

  • 氢谱
    1HNMR
  • 质谱
    MS
  • 碳谱
    13CNMR
  • 红外
    IR
  • 拉曼
    Raman
hnmr
mass
cnmr
ir
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  • 峰位数据
  • 峰位匹配
  • 表征信息
Shift(ppm)
Intensity
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Assign
Shift(ppm)
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测试频率
样品用量
溶剂
溶剂用量
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