2,2-二甲基-3-氨基丙酸乙酯盐酸盐 | 80253-38-9

• 物质功能分类: 生物化工 - 氨基酸及其衍生物 - 丙氨酸类衍生物
• 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: 2,2-二甲基-3-氨基丙酸乙酯盐酸盐
• 中文别名: 3-氨基-2,2-二甲基丙酸乙酯盐酸盐
• 英文名称: ethyl 3-amino-2,2-dimethylpropanoate hydrochloride
• 英文别名: ethyl 3-amino-2,2-dimethylpropanoate;hydrochloride
• CAS: 80253-38-9
• 化学式: C₇H₁₅NO₂*ClH
• 分子量: 181.663
• InChiKey: HAWROYHPFXYIGS-UHFFFAOYSA-N

物化性质

• 熔点：
  101 °C

计算性质

• 辛醇/水分配系数(LogP)：
  0.96
• 重原子数：
  11
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  52.3
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 危险品标志：
  Xi
• 安全说明：
  S36/37
• 危险类别码：
  R43
• 海关编码：
  2922499990
• 危险性防范说明：
  P261,P280
• 危险性描述：
  H317
• 储存条件：
  室温且干燥环境中保存。

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: Ethyl 3-amino-2,2-dimethylpropanoate, HCl
Synonyms:

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.

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Section 3. Composition/information on ingredients.
Ingredient name: Ethyl 3-amino-2,2-dimethylpropanoate, HCl
CAS number: 80253-38-9

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Section 4. First aid measures
Skin contact: Immediately wash skin with copious amounts of water for at least 15 minutes while removing
contaminated clothing and shoes. If irritation persists, seek medical attention.
Eye contact: Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical
attention.
Inhalation: Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.
Ingestion: Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.

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Section 5. Fire fighting measures
In the event of a fire involving this material, alone or in combination with other materials, use dry
powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
should be worn.

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Section 6. Accidental release measures
Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
standards.
Respiratory precaution: Wear approved mask/respirator
Hand precaution: Wear suitable gloves/gauntlets
Skin protection: Wear suitable protective clothing
Eye protection: Wear suitable eye protection
Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
for disposal. See section 12.
Environmental precautions: Do not allow material to enter drains or water courses.

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Section 7. Handling and storage
Handling: This product should be handled only by, or under the close supervision of, those properly qualified
in the handling and use of potentially hazardous chemicals, who should take into account the fire,
health and chemical hazard data given on this sheet.
Store in closed vessels.
Storage:

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Section 8. Exposure Controls / Personal protection
Engineering Controls: Use only in a chemical fume hood.
Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

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Section 9. Physical and chemical properties
Appearance: Not specified
Boiling point: No data
No data
Melting point:
Flash point: No data
Density: No data
Molecular formula: C7H15NO2.ClH
Molecular weight: 181.7

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Section 10. Stability and reactivity
Conditions to avoid: Heat, flames and sparks.
Materials to avoid: Oxidizing agents.
Possible hazardous combustion products: Carbon monoxide, nitrogen oxides, hydrogen chloride.

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Section 11. Toxicological information
No data.

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Section 12. Ecological information
No data.

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Section 13. Disposal consideration
Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
disposal authority, in accordance with national and regional regulations.

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Section 14. Transportation information
Non-harzardous for air and ground transportation.

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Section 15. Regulatory information
No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
Title III, Section 313.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  2,2-二甲基-3-氨基丙酸乙酯盐酸盐 在 potassium cyanate 、 水 作用下， 生成 5,5-Dimethyldihydrouracil
  参考文献：
  名称：

  DE606349

  摘要：

  公开号：

文献信息

• Hydroxymethyl Salicylaldehyde Auxiliary for a Glycine-Dependent Amide-Forming Ligation
  作者：Marianne Fouché、Florence Masse、Hans-Jörg Roth

  DOI：10.1021/acs.orglett.5b02350

  日期：2015.10.16

  A new amide-forming ligation that requires a glycine or a primary amine at the linkage site is described herein. The distinguishing feature of this ligation is its reliance on an O-hydroxymethyl salicylaldehyde ester at the C-terminus which allows, via an N,O-acetal intermediate, the formation of a native peptide bond.

  本文描述了在连接位点需要甘氨酸或伯胺的新的酰胺形成连接。这种连接的显着特征是它依赖于在C-末端的O-羟甲基水杨醛酯，它允许通过N，O-乙缩醛中间体形成天然的肽键。
• Novel 6-fused heteroaryldihydropyrimidines for the treatment and prophylaxis of hepatitis B virus infection
  申请人：HOFFMANN-LA ROCHE INC.

  公开号：US20150252057A1

  公开（公告）日：2015-09-10

  The invention provides novel compounds having the general formula: wherein R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , X, Y, W and n are as described herein, compositions including the compounds and methods of using the compounds.

  这项发明提供了具有以下一般式的新化合物： 其中R1、R2、R3、R4、R5、R6、X、Y、W和n如本文所述，包括这些化合物的组合物以及使用这些化合物的方法。
• The reactions of N-trimethylsilyl substituted ethers of α- and β-amino acids with sulfur tetrafluoride and morpholinosulfur trifluoride
  作者：Sergiy Zasukha、Andrii Khairulin、Yuriy Shermolovich

  DOI：10.1080/17415993.2021.1912045

  日期：2021.9.3

  The reactions of N-trimethylsilyl derivatives of α- and β-amino acid esters with sulfur tetrafluoride lead to the formation of the corresponding difluorides of imidosulfurous acids F2S=N-X (X = α or β-amino acid residue). The reaction products of difluorides with N-trimethylsilylmorpholine are ketimines or aldimines of new types, containing an imine fragment =N-S-NR2 at the α- or β-carbon atom of the

  摘要 α-和β-氨基酸酯的N-三甲基甲硅烷基衍生物与四氟化硫的反应导致形成相应的亚氨基亚硫酸F 2 S=NX（X=  α或β-氨基酸残基）的二氟化物。二氟化物与N-三甲基甲硅烷基吗啉的反应产物是新型酮亚胺或醛亚胺，在氨基酸的α-或β-碳原子上含有一个亚胺片段=NS-NR 2。二氟化物F 2 S=NX与α-和β的N-三甲基甲硅烷基酯的反应-氨基酸导致形成以前未知的硫二亚胺衍生物，其中氨基酸残基位于-N=S=N-组的氮原子上。
• Composition for the treatment of damaged tissue
  申请人：Pfizer Inc.

  公开号：US20030199440A1

  公开（公告）日：2003-10-23

  A pharmaceutical for use in damaged tissue, such as wound, treatment (e.g. healing) is described. The pharmaceutical comprising a composition which comprises: (a) a growth factor; and (b) an inhibitor agent; and optionally (c) a pharmaceutically acceptable carrier, diluent or excipient; wherein the inhibitor agent can inhibit the action of at least one specific adverse protein (e.g. a specific protease) that is upregulated in a damaged tissue, such as a wound, environment.

  描述了一种用于受损组织，如伤口治疗（例如愈合）的药物。该药物包括包含以下成分的组合物：（a）生长因子；和（b）抑制剂；以及可选的（c）药用载体、稀释剂或赋形剂；其中抑制剂可以抑制至少一种在受损组织，如伤口环境中上调的特定不良蛋白质（例如特定蛋白酶）的作用。
• [EN] DIHYDROPYRIMIDINE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES<br/>[FR] DÉRIVÉS DE DIHYDROPYRIMIDINE ET LEURS UTILISATIONS DANS LE TRAITEMENT D'UNE INFECTION PAR LE VIRUS DE L'HÉPATITE B OU DE MALADIES INDUITES PAR LE VIRUS DE L'HÉPATITE B
  申请人：JANSSEN SCIENCES IRELAND UNLIMITED CO

  公开号：WO2021018237A1

  公开（公告）日：2021-02-04

  Provided are dihydropyrimidine derivatives which are useful in the treatment or prevention of HBV infection or of HBV-induced diseases, more particularly of HBV chronic infection or of diseases induced by HBV chronic infection, as well as pharmaceutical or medical applications thereof.

  提供了对二氢嘧啶衍生物，这些衍生物在治疗或预防HBV感染或HBV引起的疾病，尤其是HBV慢性感染或由HBV慢性感染引起的疾病方面具有用处，以及它们的药用或医学应用。