DL-丝氨酸乙酯盐酸盐 | 3940-27-0

• 物质功能分类: 生物化工 - 氨基酸及其衍生物 - 天然氨基酸及其衍生物
• 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: DL-丝氨酸乙酯盐酸盐
• 中文别名: 2-氨基-3-羟基丙酸乙酯盐酸盐
• 英文名称: serine ethyl ester hydrochloride
• 英文别名: DL-serine ethyl ester hydrochloride；Ethyl 2-amino-3-hydroxypropanoate;hydron;chloride；ethyl 2-amino-3-hydroxypropanoate;hydron;chloride
• CAS: 3940-27-0
• 化学式: C₅H₁₁NO₃*ClH
• mdl: MFCD00067544
• 分子量: 169.608
• InChiKey: JZJQCLZQSHLSFB-UHFFFAOYSA-N

物化性质

• 熔点：
  98-100°C

计算性质

• 辛醇/水分配系数(LogP)：
  -1.12
• 重原子数：
  10
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  72.6
• 氢给体数：
  3
• 氢受体数：
  4

安全信息

• 安全说明：
  S22,S24/25,S26,S36/37/39
• 危险类别码：
  R22,R36/37/38
• 海关编码：
  2922509090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335
• 储存条件：
  存储条件为2-8°C，并需保存在惰性气体中。

SDS

Name:	Ethyl 2-amino-3-hydroxypropanoate hydrochloride 97% Material Safety Data Sheet
Synonym:	DL-Serine ethyl ester hydrochlorid
CAS:	3940-27-0

Section 1 - Chemical Product MSDS Name:Ethyl 2-amino-3-hydroxypropanoate hydrochloride 97% Material Safety Data Sheet
Synonym:DL-Serine ethyl ester hydrochlorid

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
3940-27-0	Ethyl 2-amino-3-hydroxypropanoate hydr	97%	unlisted

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

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Not available.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
May cause respiratory tract irritation. May be harmful if inhaled.
Chronic:
Not available.

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Section 4 - FIRST AID MEASURES
Eyes: 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:
Get medical aid. Wash mouth out with water.
Inhalation:
Remove from exposure and move to fresh air immediately.
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.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical 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.

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Section 7 - HANDLING and STORAGE
Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 3940-27-0: Personal Protective Equipment Eyes: Not available.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
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: Not available.
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 98 - 100 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C5H12ClNO3
Molecular Weight: 170

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents, bases.
Hazardous Decomposition Products:
Hydrogen chloride, chlorine, nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 3940-27-0 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Ethyl 2-amino-3-hydroxypropanoate hydrochloride - 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
No information available.
IMO
No information available.
RID/ADR
No information available.

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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# 3940-27-0: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 3940-27-0 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 3940-27-0 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：

  DL-丝氨酸乙酯盐酸盐 在 2-(3-(4-fluorophenoxy)-3-oxopropyl)benzenediazonium hexafluorophosphate (V) 、 potassium carbonate 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 1.0h， 以75%的产率得到2-diazo-3-hydroxypropanoic acid ethyl ester
  参考文献：
  名称：

  用于将 α-氨基酸衍生物转化为 α-重氮化合物的新型 N-转移试剂

  摘要：

  开发了一种新型通用N-转移试剂，可在温和的碱性条件下直接有效地将 α-氨基酮、乙酰胺和酯转化为相应的 α-重氮产物。这种一步合成方法不仅允许从 α-氨基酸衍生物生成 α-取代-α-重氮羰基化合物，而且允许从N-末端二肽制备 α-重氮二肽（32 个例子，高达 91%） .

  DOI：

  10.1039/d1cc01285a
• 作为产物：
  描述：

  DL-丝氨酸 在 三乙胺 作用下， 以 乙醚 、 氯仿 为溶剂， 生成 DL-丝氨酸乙酯盐酸盐
  参考文献：
  名称：

  LTA4 hydrolase inhibitors

  摘要：

  本发明涉及以下公式（1）所示的LTA4水解酶抑制剂组合物。它还涉及它们的治疗，特别是抗炎应用。

  公开号：

  US06436973B1

文献信息

• Efficient Synthesis of New Tetracyclic Benzofuro[3,2-<i>d</i>]-imidazo[1,2-<i>a</i>]pyrimidine-2,5-(1<i>H</i>,3<i>H</i>)-diones
  作者：Yanggen Hu、Min Liu、Mingwu Ding

  DOI：10.1002/cjoc.201090072

  日期：2010.2

  with aromaic isocyanates gave carbodiimides (2), which were allowed to react further with (‐amino ester in the presence of a catalytic amount of sodium ethoxide to give selectively new tetracyclic benzofuro[3,2‐d]imidazo[1,2‐a]pyrimidine‐2,5‐(1H,3H)‐diones (5) in good yields. X‐ray structure analysis of 5i verified the proposed structure and the reaction selectivity.

  亚氨基磷烷（1）与芳香族异氰酸酯的氮杂-维蒂希反应生成碳二亚胺（2），使其在催化量的乙醇钠存在下与（ -氨基酯）进一步反应，从而选择性地生成新的四环苯并呋喃[3,2]。 - d ]咪唑并[1,2一]嘧啶-2,5-（1 ħ，3 ħ） -二酮（5。以良好产率）的X-射线结构分析5I验证所提出的结构和反应选择性。
• [EN] BICYCLIC COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF<br/>[FR] COMPOSES BICYCLIQUES INHIBANT L'ACTIVITE DE LA BETA-SECRETASE ET PROCEDES D'UTILISATION ASSOCIES
  申请人：ZAPAQ INC

  公开号：WO2006034277A1

  公开（公告）日：2006-03-30

  The present invention provides bicyclic beta-secretase inhibitors and methods for their use, including methods of treating of Alzheimer’s disease.

  本发明提供了双环β-分泌酶抑制剂及其用途，包括用于治疗阿尔茨海默病的方法。
• Amino-Containing Compounds Which Inhibit Memapsin 2 Beta-Secretase Activity and Methods of Use Thereof
  申请人：Ghosh Arun K.

  公开号：US20080125467A1

  公开（公告）日：2008-05-29

  The present invention provides novel beta-secretase inhibitors and methods for their use, including methods of treating of Alzheimer's disease.

  本发明提供了新型β-分泌酶抑制剂及其使用方法，包括治疗阿尔茨海默病的方法。
• Cyclodimerization of 3-phenacylideneoxindolines with amino esters for the synthesis of dispiro[indoline-3,1′-cyclopentane-3′,3″-indolines]
  作者：Ren-Yin Yang、Jing Sun、Ju Xie、Chao-Guo Yan

  DOI：10.1515/hc-2017-0002

  日期：2017.8.28

  Abstract Triethylamine-promoted domino cyclodimerization reaction of 3-phenacylideneoxindolines with amino ester hydrochlorides in acetonitrile afforded substituted dispiro[indoline-3,1′-cyclopentane-3′,3″-indolines] in good yields. The relative configuration of the major diastereoisomers was determined by the X-ray diffraction analysis of three single crystal structures.

  摘要 三乙胺促进 3-phenacylideneoxindolines 与氨基酯盐酸盐在乙腈中的多米诺环二聚反应以良好的收率得到取代的二螺[indoline-3,1'-cyclopentane-3',3"-indolines]。主要非对映异构体的相对构型通过三种单晶结构的 X 射线衍射分析确定。
• Compounds which inhibit beta-secretase activity and methods of use thereof
  申请人：Ghosh Arun

  公开号：US20050239684A1

  公开（公告）日：2005-10-27

  The present invention provides novel beta-secretase inhibitors and methods for their use, including methods of treating of Alzheimer's disease.

  本发明提供了新型β-分泌酶抑制剂及其使用方法，包括治疗阿尔茨海默病的方法。

表征谱图