TBU-酪氨酸叔丁酯盐酸盐 | 17083-23-7

• 物质功能分类: 生物化工 - 氨基酸及其衍生物 - 酪氨酸类衍生物
• 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: TBU-酪氨酸叔丁酯盐酸盐
• 英文名称: O-tert-butyl-L-tyrosine tert-butyl ester hydrochloride
• 英文别名: H-Tyr(t-Bu)-OtBu hydrochloride；2-amino-3-(4-tert-butoxy-phenyl)-propionic acid tert-butyl ester；(S)-tert-Butyl 2-amino-3-(4-(tert-butoxy)phenyl)propanoate hydrochloride；tert-butyl (2S)-2-amino-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoate;hydrochloride
• CAS: 17083-23-7
• 化学式: C₁₇H₂₇NO₃*ClH
• mdl: MFCD00058002
• 分子量: 329.867
• InChiKey: ZAHGOULTAJWDGV-UQKRIMTDSA-N

物化性质

• 熔点：
  159-160℃

计算性质

• 辛醇/水分配系数(LogP)：
  3.17
• 重原子数：
  22
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.588
• 拓扑面积：
  61.6
• 氢给体数：
  2
• 氢受体数：
  4

安全信息

• WGK Germany：
  3
• 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

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: H-Tyr(tbu)-otbu 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: H-Tyr(tbu)-otbu hcl
CAS number: 17083-23-7

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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: C17H27NO3.ClH
Molecular weight: 329.9

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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：

  TBU-酪氨酸叔丁酯盐酸盐 在 sodium carbonate 作用下， 以 乙腈 为溶剂， 反应 16.0h， 生成 L-Tyr(t-Bu)-Ot-Bu
  参考文献：
  名称：

  一种含氟磺酰基化合物、其中间体、制备方法 和应用

  摘要：

  本发明公开了一种含氟磺酰基化合物、其中间体、制备方法和应用。本发明所公开的含氟磺酰基化合物，其包括阳离子和阴离子，所述阳离子如式1所示。本发明的含氟磺酰基化合物能与底物反应高效合成氟磺酰基化产物，并且毒性小，制备简单，使用方便，在常温下是固体稳定状态；此外，本化合物的底物适应性极广，可包括酚类化合物和胺类化合物，是目前可以实现该类化学转化的唯一的固体形态试剂，因此具有重要的学术和应用价值。1。

  公开号：

  CN107857730B
• 作为产物：
  描述：

  N-苄氧羰基-L-酪氨酸 在 palladium on activated charcoal 盐酸 、 二氯甲烷 、 硫酸 、 氢气 作用下， 以 二氯甲烷 为溶剂， 反应 175.0h， 生成 TBU-酪氨酸叔丁酯盐酸盐
  参考文献：
  名称：

  Heinzel, Wolfgang; Kronbach, Thomas; Voelter, Wolfgang, Zeitschrift fur Naturforschung, Teil B: Anorganische Chemie, Organische Chemie, 1982, vol. 37, # 12, p. 1652 - 1658

  摘要：

  DOI：

文献信息

• PSMA-TARGETED NIR DYES AND THEIR USES
  申请人：On Target Laboratories, LLC

  公开号：US20180099934A1

  公开（公告）日：2018-04-12

  The present disclosure relates to prostate specific membrane antigen (PSMA) targeted compounds conjugated to near-infra red (NIR) dyes and methods for a method for synthesizing a compound of the formula:

  本公开涉及与近红外（NIR）染料结合的前列腺特异性膜抗原（PSMA）靶向化合物，并且涉及合成符合以下公式的化合物的方法：
• Tantalum-Catalyzed Amidation of Amino Acid Homologues
  作者：Wataru Muramatsu、Hisashi Yamamoto

  DOI：10.1021/jacs.9b08415

  日期：2019.12.4

  tantalum-catalyzed solvent-free approach for the construction of amide bonds with 1-(trimethylsilyl)imidazole is developed, and the mild reaction conditions are applicable to a wide variety of electrophilic amino acid homologs. This approach delivers a new class of peptides in high yields without any epimerization.

  开发了一种钽催化的无溶剂方法，用于与 1-（三甲基甲硅烷基）咪唑构建酰胺键，并且反应条件温和，适用于多种亲电氨基酸同系物。这种方法以高产率提供了一类新的肽，而没有任何差向异构化。
• [EN] PYRAZOLO` 1,5A! PYRIMIDINE COMPOUNDS AS ANTIVIRAL AGENTS<br/>[FR] COMPOSES DE PYRAZOLO(1,5A)PYRIMIDINE SERVANT D'AGENTS ANTIVIRAUX
  申请人：NEOGENESIS PHARMACEUTICALS INC

  公开号：WO2003101993A1

  公开（公告）日：2003-12-11

  The invention relates to the inhibition of hepatitis C virus (HCV) replication. In particular, embodiments of the invention provide compounds and methods for inhibiting HCV RNA-dependent RNA polymerase enzymatic activity. The invention also provides compositions and methods for the prophylaxis and treatment of HCV infection.

  这项发明涉及抑制丙型肝炎病毒（HCV）复制。具体而言，该发明的实施例提供了抑制HCV RNA依赖性RNA聚合酶酶活性的化合物和方法。该发明还提供了用于预防和治疗HCV感染的组合物和方法。
• 一种主动靶向叶酸受体近红外荧光分子及其 制备方法
  申请人：南京诺源医疗器械有限公司

  公开号：CN112010862B

  公开（公告）日：2021-03-30

  本发明涉及近红外手术导航荧光分子及细胞标记成像等领域，具体公开了一种主动靶向近红外荧光小分子的结构及其制备方法。本发明通过利用有机全合成的方法制备了培美曲塞二钠及其衍生物为主动靶向基团的主动靶向近红外荧光小分子。这种主动靶向近红外荧光分子具有主动靶向性高、特异性强，水溶性好和荧光量子产率高等优点。
• A New Portal to SuFEx Click Chemistry: A Stable Fluorosulfuryl Imidazolium Salt Emerging as an “F−SO₂ +” Donor of Unprecedented Reactivity, Selectivity, and Scope
  作者：Taijie Guo、Genyi Meng、Xiongjie Zhan、Qian Yang、Tiancheng Ma、Long Xu、K. Barry Sharpless、Jiajia Dong

  DOI：10.1002/anie.201712429

  日期：2018.3.1

  in highly functional molecules. We now report that a solid fluorosulfuryl imidazolium triflate salt delivers the same “F−SO2+” fragment to Nu−H acceptor groups in the substrates. However, this triflate salt is a far more reactive fluorosulfurylating agent than SO2F2 and displays selectivity preferences of its own. Moreover, the new azolium triflate reagent reacts once with primary amines and anilines

  已经发现，硫酰氟SO 2 F 2在各种环境中，甚至在高功能分子中，都可以使苯酚衍生化。现在，我们报告固体三氟甲磺酸氟磺酰基咪唑鎓盐向底物中的Nu-H受体基团传递相同的“ F-SO 2 + ”片段。但是，这种三氟甲磺酸盐是一种比SO 2 F 2更具活性的氟磺化剂，并显示出其自身的选择性偏好。而且，在停止反应之前，新的三氟甲磺酸偶氮鎓试剂与伯胺和苯胺反应一次。另一方面，用三乙胺和两当量的“ F-SO 2 +“供体存在，它以良好的收率继续进行双（氟硫磺酰基）酰亚胺的转化-这是我们从未见过的两个重要的转化反应，我们将磺酰氟用作亲电试剂。