乙基酪氨酸酯盐酸盐(1:1) | 5619-08-9

• 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: 乙基酪氨酸酯盐酸盐(1:1)
• 中文别名: DL-酪氨酸乙酯盐酸盐
• 英文名称: tyrosine ethyl ester hydrochloride
• 英文别名: DL-tyrosine ethyl ester; hydrochloride；DL-Tyrosin-aethylester; Hydrochlorid；Ethyl 2-amino-3-(4-hydroxyphenyl)propanoate;hydron;chloride
• CAS: 5619-08-9
• 化学式: C₁₁H₁₆NO₃*Cl
• 分子量: 245.706
• InChiKey: BQULAXAVRFIAHN-UHFFFAOYSA-N

物化性质

• 熔点：
  105-106 °C

计算性质

• 辛醇/水分配系数(LogP)：
  1.25
• 重原子数：
  16
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  72.6
• 氢给体数：
  3
• 氢受体数：
  4

安全信息

• 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：
  室温

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: Dl-tyrosine ethyl ester, 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: Dl-tyrosine ethyl ester, HCl
CAS number: 5619-08-9

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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: C11H15NO3.ClH
Molecular weight: 245.7

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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：

  乙基酪氨酸酯盐酸盐(1:1) 在 palladium on activated charcoal 、 四丁基碘化铵 盐酸 、 氢氧化钾 、 氢气 、 magnesium sulfate 、 potassium carbonate 、 三乙胺 作用下， 以 二氯甲烷 、 丙酮 为溶剂， 生成 消旋甲酪氨酸
  参考文献：
  名称：

  α-甲基氨基酸通过催化相转移烷基化

  摘要：

  由氨基酯盐酸盐以高收率制备了α-甲基氨基酸，α-甲基对氯苯基丙氨酸，α-甲基对酪氨酸，α-甲基间酪氨酸和α-甲基DOPA。该方法的关键步骤是单烷基氨基酸的席夫碱衍生物的催化相转移烷基化。

  DOI：

  10.1016/s0040-4039(00)88719-5

文献信息

• Useful Reagents for Introduction of Boc and Fmoc Protective Groups to Amines­: Boc-DMT and Fmoc-DMT
  作者：Munetaka Kunishima、Kazuhito Hioki、Mizuho Kinugasa、Michiko Kishimoto、Miho Fujiwara、Shohei Tani

  DOI：10.1055/s-2006-942389

  日期：2006.6

  New amino-protecting reagents, Boc-DMT and Fmoc-DMT, were prepared, and found to be useful for the introduction of Boc and Fmoc groups into amines. Both the reagents can protect various amines including amino acids in good yield in aqueous media. Since the reagents are neither unstable nor irritating, they are practically useful.

  制备了新的氨基保护试剂 Boc-DMT 和 Fmoc-DMT，发现它们可用于将 Boc 和 Fmoc 基团引入胺中。这两种试剂都可以在水性介质中以良好的收率保护各种胺，包括氨基酸。由于这些试剂既不稳定也没有刺激性，因此非常实用。
• Benzyl 4,6-Dimethoxy-1,3,5-triazinyl Carbonate as<i>N</i>-Protecting Reagent
  作者：Kazuhito Hioki、Miho Fujiwara、Shohei Tani、Munetaka Kunishima

  DOI：10.1246/cl.2002.66

  日期：2002.1

  A new active carbonate ester, benzyl 4,6-dimethoxy-1,3,5-triazinyl carbonate (Z-DMT), was prepared, and found to be a useful reagent for the introduction of benzyloxycarbonyl group into amines. Since Z-DMT is neither unstable nor irritating, it is practically useful.

  制备了一种新的活性碳酸酯——苄基4,6-二甲氧基-1,3,5-三嗪基碳酸酯（Z-DMT），发现它是一种有用的试剂，可将苄氧羰基引入胺类化合物中。由于Z-DMT既不稳定也不刺激，因此在实际应用中非常有用。
• Amino acid derivatives, methods of preparing said derivatives and
  申请人：Ajinomoto Company Incorporated

  公开号：US04472381A1

  公开（公告）日：1984-09-18

  The present invention relates to an amino acid derivative represented by the formula ##STR1## wherein R.sub.1 and R.sub.2 represent hydroxyl, alkyloxy, aryloxy, arylkyloxy, alkyl, aryl, or aralkyl; R.sub.3, R.sub.5, R.sub.8 and R.sub.11 are hydrogen or alkyl; R.sub.4, R.sub.7 and R.sub.10 are hydrogen, or substituted or unsubstituted alkyl, aryl or aralkyl; R.sub.6 and R.sub.9 are hydrogen, alkyl, aryl, or aralkyl; R.sub.12 is hydroxyl, alkyloxy, aryloxy, aralkyloxy, amino, mono- or di-alkyl-, aryl- or aralkyl amino; and R.sub.6 and R.sub.7 combined together, and R.sub.9 and R.sub.10 combined together independently may form a substituted or unsubstituted alkylene bridge. The present invention also relates to a method of preparing said amino acid derivatives, and to anti-hypertensive drugs containing them.

  本发明涉及一种由以下式表示的氨基酸衍生物##STR1##其中R.sub.1和R.sub.2代表羟基、烷氧基、芳基氧基、芳基烷氧基、烷基、芳基或芳基烷基；R.sub.3、R.sub.5、R.sub.8和R.sub.11为氢或烷基；R.sub.4、R.sub.7和R.sub.10为氢，或取代或未取代的烷基、芳基或芳基烷基；R.sub.6和R.sub.9为氢、烷基、芳基或芳基烷基；R.sub.12为羟基、烷氧基、芳基氧基、芳基烷氧基、氨基、单烷基或双烷基、芳基或芳基氨基；以及R.sub.6和R.sub.7结合在一起，R.sub.9和R.sub.10独立地结合在一起可能形成取代或未取代的烷基桥。本发明还涉及制备所述氨基酸衍生物的方法，以及含有它们的抗高血压药物。
• Amino acid derivatives and antihypertensive drugs containing them
  申请人：Ajinomoto Co., Inc.

  公开号：US04536395A1

  公开（公告）日：1985-08-20

  N-terminal phosphorus dipeptides having antihypertensive properties are disclosed.

  N-末端磷二肽具有降压作用。
• Synthesis of a Heat-stable Enterotoxin (ST_h) Produced by a Human Strain SK-1 of Enterotoxigenic<i>Escherichia coli</i>
  作者：Haruo Ikemura、Shoko Yoshimura、Saburo Aimoto、Yasutsugu Shimonishi、Saburo Hara、Tae Takeda、Yoshifumi Takeda、Toshio Miwatani

  DOI：10.1246/bcsj.57.2543

  日期：1984.9

  A peptide with the amino acid sequence proposed for a heat-stable enterotoxin (STh) produced by a human strain SK-1 of enterotoxigenic Escherichia coli was synthesized by a conventional method. Synthetic STh evoked fluid secretion in suckling mice at a dose of 0.8 ng, which is similar to the effective dose of native STh. The fluid secretion was completely inhibited by antisera raised against the native toxin. Furthermore, synthetic STh showed the same 1H-NMR spectrum and heat-stability as native STh.

  采用常规方法合成了对人源产毒性大肠杆菌SK-1株产生的热稳定肠毒素（STh）所提出的氨基酸序列的多肽。在0.8纳克的剂量下，合成STh引起了哺乳期小鼠的液体分泌，这与天然STh的有效剂量相似。这种液体分泌被针对天然毒素的抗血清完全抑制。此外，合成STh显示出与天然STh相同的1H-NMR谱和热稳定性。