3,6-双(2-羟乙基)-2,5-二酮哌嗪 | 50975-79-6

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 中文名称: 3,6-双(2-羟乙基)-2,5-二酮哌嗪
• 英文名称: 3,6-bis-(β-hydroxyethyl)-2,5-diketopiperazine
• 英文别名: 3,6-di(2-hydroxyethyl)piperazine-2,5-dione；3,6-bis-(2-hydroxy-ethyl)-piperazine-2,5-dione；3,6-Bis-(2-hydroxy-aethyl)-piperazin-2,5-dion；D,L-3,6-Bis-(β-hydroxyethyl)-2,5-diketopiperazin；3,6-Bis-(β-hydroxyethyl)-2,5-diketo-piperazin；3,6-Bis(2-hydroxyethyl)-2,5-piperazinedione；3,6-bis(2-hydroxyethyl)piperazine-2,5-dione
• CAS: 50975-79-6
• 化学式: C₈H₁₄N₂O₄
• mdl: MFCD00278410
• 分子量: 202.21
• InChiKey: YCISBBFTTVKSNK-UHFFFAOYSA-N

物化性质

• 熔点：
  188 °C
• 沸点：
  340.32°C (rough estimate)
• 密度：
  1.2845 (rough estimate)
• 稳定性/保质期：
  遵照规定使用和储存，则不会分解。

计算性质

• 辛醇/水分配系数(LogP)：
  -1.9
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  98.7
• 氢给体数：
  4
• 氢受体数：
  4

安全信息

• 安全说明：
  S24/25
• 海关编码：
  2933599090
• 储存条件：
  存放在阴凉干燥处即可。

SDS

Name:	3 6-Bis(2-Hydroxyethyl)-2 5-Diketopiperazine 98% Material Safety Data Sheet
Synonym:	3,6-Bis(2-Hydroxyethyl)-2,5-Piperazinedione
CAS:	50975-79-6

Section 1 - Chemical Product MSDS Name:3 6-Bis(2-Hydroxyethyl)-2 5-Diketopiperazine 98% Material Safety Data Sheet
Synonym:3,6-Bis(2-Hydroxyethyl)-2,5-Piperazinedione

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
50975-79-6	3,6-Bis(2-Hydroxyethyl)-2,5-Diketopipe	98%	unlisted

Hazard Symbols: None Listed.
Risk Phrases: None Listed.

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
No information found.

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Section 4 - FIRST AID MEASURES
Eyes: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water.
Inhalation:
Remove from exposure and move to fresh air immediately. If breathing is difficult, give oxygen. Get medical aid. If breathing has ceased apply artificial respiration using oxygen and a suitable mechanical device such as a bag and a mask.
Notes to Physician:
Treat symptomatically and supportively.

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Section 5 - FIRE FIGHTING MEASURES
General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media:
In case of fire, use water, dry chemical, chemical foam, or alcohol-resistant foam.

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Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions.
Provide ventilation.

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Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Avoid ingestion and inhalation. Use with adequate ventilation.
Storage:
Store in a cool, dry place. Keep container closed when not in use.

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate general or local exhaust ventilation to keep airborne concentrations below the permissible exposure limits.
Exposure Limits CAS# 50975-79-6: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves and clothing to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to minimize contact with skin.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Solid
Color: white
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 188.00 - 192.00 deg C
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C8H14N2O4
Molecular Weight: 202.21

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, dust generation, excess heat, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported.

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 50975-79-6 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
3,6-Bis(2-Hydroxyethyl)-2,5-Diketopiperazine - Not listed by ACGIH, IARC, or NTP.

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Section 12 - ECOLOGICAL INFORMATION

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Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

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Section 14 - TRANSPORT INFORMATION

IATA
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 50975-79-6: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 50975-79-6 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 50975-79-6 is not listed on the TSCA inventory.
It is for research and development use only.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  3,6-双(2-羟乙基)-2,5-二酮哌嗪 在 氯化亚砜 作用下， 反应 5.0h， 以80%的产率得到S-3,6-二(2-氯乙基)-2,5-二酮哌嗪
  参考文献：
  名称：

  Ran; Cao; Wang, Polish Journal of Chemistry, 2009, vol. 83, # 3, p. 431 - 435

  摘要：

  DOI：
• 作为产物：
  描述：

  2-(hydroxyimino)-γ-butyrolactone 在 palladium on activated charcoal 、 乙醇 作用下， 生成 3,6-双(2-羟乙基)-2,5-二酮哌嗪
  参考文献：
  名称：

  A Convenient Synthesis of dl-Methionine

  摘要：

  DOI：

  10.1021/ja01261a022

文献信息

• Preparation of Methionine or Selenomethionine from Homoserine via a Lactone Intermediate
  申请人：Lorbert Stephen J.

  公开号：US20130006014A1

  公开（公告）日：2013-01-03

  Provided herein are processes for the production of methionine or selenomethionine from homoserine. In particular, the processes proceed via the production of lactone intermediates.

  本文提供了从高丝氨酸生产蛋氨酸或硒蛋氨酸的过程。特别是，该过程通过产生内酯中间体进行。
• Method for production of methionine from homoserine
  申请人：Hateley Martin

  公开号：US20080146840A1

  公开（公告）日：2008-06-19

  The invention relates to a method for production of D- and/or L-methionine via D- and/or L-homoserine with subsequent chemical transformation to give methionine.

  该发明涉及一种通过D-和/或L-同型半胱氨酸进行生产D-和/或L-蛋氨酸的方法，并通过化学转化得到蛋氨酸的方法。
• Process for absorption of sulfur compounds from fluids using certain piperidines, piperazines, or anhydrides of monocarboxylic amino acids
  申请人：THE DOW CHEMICAL COMPANY

  公开号：EP0471592A2

  公开（公告）日：1992-02-19

  Sulfur dioxide is removed from a fluid containing SO2 by employing as an absorbent for the SO2 an aqueous solution of a compound represented by Formulae I, II or III : wherein each Y is independently -(CR22)- or -(CR2)= ; each R1, R2, R5 or R6 is independently hydrogen, an alkyl group ; an hydroxyalkyl group ; an aldehyde group ; a carboxylic acid group or salt thereof ; or an alkyl group containing at least one carboxylic acid ester, a carboxylic acid or salt thereof, ether, aldehyde, ketone, or sulfoxide group ; wherein at least one of R1 and R2 and at least one of R5 and R6 is a carbonyl-containing group ; each R3 or R4 is independently hydrogen ; an alkyl group ; a hydroxyalkyl group ; an aldehyde group ; a carboxylic acid or salt group ; or an alkyl, aryl, or aralkyl group containing at least one carboxylic ester, a carboxylic acid or salt, ether, aldehyde, ketones or sulfoxide group. The absorbent solution preferably can be thermally regenerated by heating to remove SO2.

  通过使用由式 I、II 或 III 所代表的化合物的水溶液作为二氧化硫的吸收剂，从含有二氧化硫的流体中去除二氧化硫： 其中每个 Y 独立地为-(CR22)-或-(CR2)＝；每个 R1、R2、R5 或 R6 独立地为氢、烷基、羟烷基、醛基、羧酸基或其盐、或含有至少一个羧酸酯、羧酸或其盐、醚、醛、酮或亚砜基的烷基；其中 R1 和 R2 中的至少一个以及 R5 和 R6 中的至少一个是含羰基的基团；每个 R3 或 R4 独立地是氢；烷基；羟烷基；醛基；羧酸或盐基；或含有至少一个羧酸酯、羧酸或盐、醚、醛、酮或亚砜基团的烷基、芳基或芳烷基。吸收剂溶液最好可以通过加热进行热再生，以去除二氧化硫。
• Fischer,E.; Blumenthal, Chemische Berichte, 1907, vol. 40, p. 112
  作者：Fischer,E.、Blumenthal

  DOI：——

  日期：——
• The Relationship between Homoserine and its Lactone
  作者：Marvin D. Armstrong

  DOI：10.1021/ja01178a037

  日期：1949.10