2,4-联苄氧基嘧啶 | 7306-79-8

• 物质功能分类: 医药中间体 - 杂环化合物 - 嘧啶类化合物
• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 2,4-联苄氧基嘧啶
• 中文别名: 2,4-双(苄氧基)嘧啶；2,4-联苄氧基嘧啶,95
• 英文名称: 2,4-bis(benzyloxy)pyrimidine
• 英文别名: 2,4-di-O-benzylpyrimidine；2,4-bis-benzyloxy-pyrimidine；2,4-Dibenzyloxy-pyrimidin；2,4-bis(phenylmethoxy)pyrimidine
• CAS: 7306-79-8
• 化学式: C₁₈H₁₆N₂O₂
• mdl: MFCD06798236
• 分子量: 292.337
• InChiKey: UYMTZUCWZADKHO-UHFFFAOYSA-N

物化性质

• 沸点：
  479.5±47.0 °C(Predicted)
• 密度：
  1.191±0.06 g/cm3(Predicted)
• 稳定性/保质期：
  如果按照规格使用和储存，则不会分解。

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  22
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.111
• 拓扑面积：
  44.2
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 海关编码：
  2933599090
• 储存条件：
  密封存储在阴凉干燥的环境中。

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
2,4-Bis(benzyloxy)pyrimidine
Product Name:
Synonyms:

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.
H315: Causes skin irritation
H319: Causes serious eye irritation
H335: May cause respiratory irritation
P261: Avoid breathing dust/fume/gas/mist/vapours/spray
Wear protective gloves/protective clothing/eye protection/face protection
P280:
P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present
and easy to do – continue rinsing
P304+P340: IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing
P405: Store locked up

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Section 3. Composition/information on ingredients.
2,4-Bis(benzyloxy)pyrimidine
Ingredient name:
CAS number: 7306-79-8

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Section 4. First aid measures
Immediately wash skin with copious amounts of water for at least 15 minutes while removing
Skin contact:
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.
Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.
Ingestion:

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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.
Storage: Store in closed vessels.

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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
Not specified
Appearance:
Boiling point: No data
Melting point: No data
Flash point: No data
Density: No data
Molecular formula: C18H16N2O2
Molecular weight: 292.3

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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.

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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

制备方法与用途

制备方法

医药生物化工中间体。

用途简介

反应信息

• 作为反应物：
  描述：

  2,4-联苄氧基嘧啶 在 [Ir(dF(CF₃)ppy)₂(dtbbpy)](PF₆) 、 维生素 C 作用下， 以 水 、 乙腈 为溶剂， 以84.8%的产率得到尿嘧啶
  参考文献：
  名称：

  的光还原性脱除ö从Oxyarene苄组Ñ通过辅助-Heterocycles ø -吡啶吡啶酮互变异构

  摘要：

  已经开发出了简便的光还原方案，可以从氧化芳烃N-杂环上的苄基O-保护基团去除能够使2- / 4- O-吡啶-2- / 4-吡啶酮互变异构的位置。蓝光照射，[Ru]或[Ir]光催化剂和水-乙腈溶液中的抗坏血酸可选择性地使各种芳基N-杂环脱苄基。抗坏血酸在反应中具有两个功能。一方面，它使N-杂环质子化，从而显着降低其还原电位，另一方面，它作为牺牲性还原剂。以CPCM-B3LYP / 6-31 + G **水平计算的还原势和自由能垒可以预测所研究底物的反应性。

  DOI：

  10.1021/acs.joc.7b02775
• 作为产物：
  描述：

  2,4-二氯嘧啶 、 苯甲醇 在 sodium hydride 作用下， 以 四氢呋喃 、 mineral oil 为溶剂， 反应 4.5h， 以86.6%的产率得到2,4-联苄氧基嘧啶
  参考文献：
  名称：

  的光还原性脱除ö从Oxyarene苄组Ñ通过辅助-Heterocycles ø -吡啶吡啶酮互变异构

  摘要：

  已经开发出了简便的光还原方案，可以从氧化芳烃N-杂环上的苄基O-保护基团去除能够使2- / 4- O-吡啶-2- / 4-吡啶酮互变异构的位置。蓝光照射，[Ru]或[Ir]光催化剂和水-乙腈溶液中的抗坏血酸可选择性地使各种芳基N-杂环脱苄基。抗坏血酸在反应中具有两个功能。一方面，它使N-杂环质子化，从而显着降低其还原电位，另一方面，它作为牺牲性还原剂。以CPCM-B3LYP / 6-31 + G **水平计算的还原势和自由能垒可以预测所研究底物的反应性。

  DOI：

  10.1021/acs.joc.7b02775

文献信息

• 一种对称型嘧啶基碘鎓盐及其制备方法
  申请人：东华大学

  公开号：CN105237483B

  公开（公告）日：2018-04-20

  本发明涉及一种对称型嘧啶基碘鎓盐及其制备方法，结构式为制备方法包括：将醇与氢化钠反应后滴入5‑溴尿嘧啶与三氯氧磷的反应产物中，反应后与丁基锂试剂反应，然后分别与单质碘和有机金属卤化物反应，得到5‑碘‑2,4‑二烷氧基嘧啶和金属嘧啶衍生物；5‑碘‑2，4‑二烷氧基嘧啶与氮‑氟试剂以及TMSX‑1反应得到2，4‑二烷基嘧啶基三价碘中间体，然后与TMSX‑2和金属嘧啶衍生物反应后加入阴离子钠盐或钾盐，萃取，即得。本发明的制备方法所用氧化方法无酸、高效、温和。本发明中的用于高效制备PET示踪剂18F‑5‑氟尿嘧啶，避免了选择性差、产率低、分离困难等问题。
• Synthesis of new pyrrolidine C-nucleosides via Staudinger-aza-Wittig cyclization of γ-azido ketone
  作者：Dong Chan Kim、Kyung Ho Yoo、Dong Jin Kim、Bong Young Chung、Sang Woo Park

  DOI：10.1016/s0040-4039(99)00854-0

  日期：1999.6

  Novel N-acetyl C-aza-2-deoxy-D-ribonucleosides were synthesized from 2-deoxy-D-ribose via a consecutive procedure of the addition of ortho-lithiated pyrimidine salt, Staudinger-aza-Wittig ring cyclization, and reduction of cyclic imine. (C) 1999 Elsevier Science Ltd. All rights reserved.
• Process for Producing Olefin Copolymerization Catalyst and Process for Producing Olefin Copolymer
  申请人：NAKAHARA Shinya

  公开号：US20080227937A1

  公开（公告）日：2008-09-18

  A process for producing an olefin copolymerization catalyst, comprising the step of contacting, with one another, (A) a solid catalyst component containing a titanium atom, a magnesium atom and a halogen atom, (B) an organoaluminum compound and/or organoaluminumoxy compound, and (C) a nitrogen-containing aromatic heterocyclic compound, whose one or more carbon atoms adjacent to its nitrogen atom are linked to an electron-donating group, or a group containing an electron-donating group; and a process for producing an olefin copolymer using the an olefin copolymerization catalyst.
• VESICLE COMPOSITIONS
  申请人：Annapragada Ananth

  公开号：US20120231067A1

  公开（公告）日：2012-09-13

  Vesicle compositions are provided that comprise a therapeutic compound. The vesicle compositions may be capable of releasing the therapeutic compound in response to the presence of an external trigger. The vesicle compositions may comprise a plurality of biocompatible vesicles. The biocompatible vesicles may comprise a therapeutic compound for treatment of a patient in need thereof, and one or more cross-linkages between two or more of the biocompatible vesicles, each cross-linkage comprising a chemical sensing moiety and a sensed moiety. In some embodiments, the therapeutic compound may be any compound that provides palliative, curative, or otherwise beneficial effects to a patent.
• Vesicle Compositions
  申请人：Board of Regents of the University of Texas System

  公开号：US20140227349A1

  公开（公告）日：2014-08-14

  Vesicle compositions are provided that comprise a therapeutic compound. The vesicle compositions may be capable of releasing the therapeutic compound in response to the presence of an external trigger. The vesicle compositions may comprise a plurality of biocompatible vesicles. The biocompatible vesicles may comprise a therapeutic compound for treatment of a patient in need thereof, and one or more cross-linkages between two or more of the biocompatible vesicles, each cross-linkage comprising a chemical sensing moiety and a sensed moiety. In some embodiments, the therapeutic compound may be any compound that provides palliative, curative, or otherwise beneficial effects to a patent.