1-(溴乙酰基)哌啶 | 1796-25-4

• 物质功能分类: 有机原料 - 杂环化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 中文名称: 1-(溴乙酰基)哌啶
• 中文别名: 2-溴-1-(1-哌啶基)乙酮
• 英文名称: 1-(2-bromoacetyl)piperidine
• 英文别名: 2-bromo-1-(piperidin-1-yl)ethanone；2-bromo-1-(piperidin-1-yl)ethan-1-one；1-(bromoacetyl)piperidine；2-bromo-1-(piperidine-1-yl)ethanone；2-bromo-1-piperidinylethanone；N-(bromoacetyl)piperidine；2-bromo-1-piperidin-1-ylethanone
• CAS: 1796-25-4
• 化学式: C₇H₁₂BrNO
• mdl: MFCD06800357
• 分子量: 206.082
• InChiKey: GWJIPNKXIAJCPA-UHFFFAOYSA-N

物化性质

• 熔点：
  38-40℃
• 沸点：
  285℃
• 密度：
  1.451
• 闪点：
  126℃

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.857
• 拓扑面积：
  20.3
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  2933399090
• 危险标志：
  GHS07
• 危险性描述：
  H302,H319
• 危险性防范说明：
  P305 + P351 + P338
• 储存条件：
  室温密封，干燥保存。

SDS

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SECTION 1: Identification of the substance/mixture and of the company/undertaking
Product identifiers
Product name : 1-(Bromoacetyl)Piperidine
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
Eye irritation (Category 2), H319
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
R36
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.
H319 Causes serious eye irritation.
Precautionary statement(s)
P305 + P351 + P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove
contact lenses, if present and easy to do. Continue rinsing.
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 : 206,08 g/mol
Hazardous ingredients according to Regulation (EC) No 1272/2008
Component Classification Concentration
1-(Bromoacetyl)Piperidine
Acute Tox. 4; Eye Irrit. 2; <= 100 %
H302, H319
Hazardous ingredients according to Directive 1999/45/EC
Component Classification Concentration
1-(Bromoacetyl)Piperidine
Xn, R22R36 <= 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
Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician.
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
Eye Irrit. Eye irritation
H302 Harmful if swallowed.
H319 Causes serious eye irritation.
Full text of R-phrases referred to under sections 2 and 3
Xn Harmful
R22 Harmful if swallowed.
R36 Irritating to eyes.
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：

  1-(溴乙酰基)哌啶 在 碲化氢 作用下， 反应 24.0h， 以78%的产率得到bis{(piperidin-1-yl)amidomethyl}tellurium dibromide
  参考文献：
  名称：

  哌啶-1-亚胺基甲基碲衍生物：合成与固态结构

  摘要：

  摘要在温和条件下，容易将低价碲Te（0）和Te（II）氧化插入α-溴乙酰基哌啶的C Br键中，并为稳定的结晶哌啶-1-基-lam基甲基碲（IV）提供直接合成途径二溴化物（C 5 H 10 NCOCH 2）2 TeBr 2，1b和（C 5 H 10 NCOCH 2）ArTeBr 2（Ar = 2,4,6-Me 3 C 6 H 2，2b; 1-C 10 H 7 ，3b； 4-MeC 6 H 4，4b）。亚硫酸氢盐还原1b可得到黄色的碲醚，（C 5 H 10 NCOCH 2）2 Te，1为油，而非对称二有机碲二溴化物（C 5 H 10 NCOCH 2）ArTeBr 2则可分离出各自的二芳基二碲化物，ArTeTeAr。对称的碲铝醚1氧化添加二卤素，得到哌啶-1-基-酰氨基甲基碲（IV）二卤化物（C 5 H 10 NCOCH 2）2 TeX 2（X = Cl，1a; Br，1b和I，1c;）。所有新

  DOI：

  10.1016/j.ica.2017.03.032
• 作为产物：
  描述：

  哌啶 、 溴乙酰溴 以 二氯甲烷 为溶剂， 以65 %的产率得到1-(溴乙酰基)哌啶
  参考文献：
  名称：

  新型吡啶鎓阳离子截短侧耳素类似物克服细菌多药耐药性。

  摘要：

  设计、合成了一系列吡啶鎓阳离子取代的截短侧耳素类似物，并评价了它们的体外和体内抗菌活性。大多数衍生物显示出有效的抗菌活性，尤其是 e4，它对多重耐药细菌显示出最高的抗菌活性，并进行了时间杀灭动力学、耐药性研究、细胞毒性和分子对接测定。分子对接结果、扫描电镜和邻硝基苯基-β-吡喃半乳糖苷测试表明，e4不仅抑制细菌蛋白质合成，而且破坏细菌细胞壁。在感染小鼠模型中，化合物e4对多重耐药金黄色葡萄球菌的ED50为5.68 mg/kg。在体内和体外毒性试验中，e4对小鼠表现出较低的毒性作用，LD50为879 mg/kg。这些结果表明化合物 e4 可被视为细菌感染的新治疗候选物。

  DOI：

  10.1016/j.ejmech.2023.115269

文献信息

• [DE] DIBENZOXAZEPINE<br/>[EN] DIBENZOXAZEPINE<br/>[FR] DIBENZOXAZEPINES
  申请人：BAYER HEALTHCARE AG

  公开号：WO2004033437A1

  公开（公告）日：2004-04-22

  Die vorliegende Erfindung betrifft Verbindungen, Verfahren zur ihrer Herstellung, sie umfassende pharmazeutische Zusammensetzungen sowie ihre Verwendung bei der Behandlung und/oder Prophylaxe von Erkrankungen bei Menschen oder Tieren, insbesondere von Herz-Kreislauf-Erkrankungen, z. B. von Atherosklerose.

  本发明涉及化合物、其制备方法、包括它们的药物组合物以及它们在治疗和/或预防人类或动物疾病，特别是心血管疾病，例如动脉粥样硬化方面的用途。
• S4N4·SbCl5 complex: A useful reagent for conversion of sterically less hindered α-bromo ketones to α-chloro ketones
  作者：Kil-Joong Kim、Kyongtae Kim

  DOI：10.1016/s0040-4039(97)00850-2

  日期：1997.6

  The reactions of sterically less hindered α-bromo alkyl and aryl ketones with tetrasulfur tetranitride·antimony pentachloride (S4N4·SbCl3) complex in toluene at reflux gave the corresponding α-chloro ketones in good to excellent yields.

  在甲苯中，空间受阻较少的α-溴代烷基和芳基酮与四氮化四硫·五氯化锑（S 4 N 4 ·SbCl 3）配合物在回流下反应，得到相应的α-氯代酮，收率良好至优异。
• Submonomer synthesis of peptoids containing <i>trans</i>-inducing <i>N</i>-imino- and <i>N</i>-alkylamino-glycines
  作者：Carolynn M. Davern、Brandon D. Lowe、Adam Rosfi、Elon A. Ison、Caroline Proulx

  DOI：10.1039/d1sc00717c

  日期：——

  The use of hydrazones as a new type of submonomer in peptoid synthesis is described, giving access to peptoid monomers that are structure-inducing. A wide range of hydrazones were found to readily react with α-bromoamides in routine solid phase peptoid submonomer synthesis. Conditions to promote a one-pot cleavage of the peptoid from the resin and reduction to the corresponding N-alkylamino side chains

  描述了在类肽合成中使用腙作为新型亚单体，从而获得结构诱导的类肽单体。在常规固相类肽亚单体合成中，发现多种腙很容易与 α-溴酰胺发生反应。还确定了促进类肽从树脂上一锅裂解并还原成相应的N-烷基氨基侧链的条件，并且发现N-亚氨基-和N-烷基氨基甘氨酸残基都有利于反式-酰胺键通过 NMR、X 射线晶体学和计算分析来确定几何形状。
• Pyrrolopyridinylpyrimidin-2-ylamine derivatives
  申请人：Wucherer-Plietker Margarita

  公开号：US20110218198A1

  公开（公告）日：2011-09-08

  Compounds of the formula I in which X, R 1 , R 2 , R 3 , R 4 and R 6 have the meanings indicated in Claim 1 , are inhibitors of cell proliferation/cell vitality and can be employed for the treatment of tumours.

  公式I中X、R1、R2、R3、R4和R6具有权利要求书中指示的含义，是细胞增殖/细胞活力的抑制剂，可用于肿瘤的治疗。
• 咪唑并环类PAR4拮抗剂及其医药用途
  申请人：中国药科大学

  公开号：CN110627817B

  公开（公告）日：2022-03-29

  本发明涉及式(I)或式(II)所示的咪唑并环类化合物、或其药学上可接受的盐或酯或溶剂化物。本发明的化合物可用于制备预防或治疗血栓栓塞性病症的药物。