3-氟-1-碘代丙烷 | 462-40-8

• 物质功能分类: 有机原料 - 烃类化合物及其衍生物 - 无环烃
• 分子结构分类: 有机化合物 - 有机卤素化合物 - 有机碘化物
• 中文名称: 3-氟-1-碘代丙烷
• 中文别名: 1-碘-3-氟丙烷；1-氟-3-碘丙烷
• 英文名称: 1-fluoro-3-iodo-propane
• 英文别名: 3-fluoro-1-iodopropane；1-iodo-3-fluoropropane；3-iodo-1-fluoropropane；1-Fluoro-3-iodopropane
• CAS: 462-40-8
• 化学式: C₃H₆FI
• 分子量: 187.984
• InChiKey: URBUZQPPQLQHBZ-UHFFFAOYSA-N

物化性质

• 沸点：
  68-69/95mm
• 密度：
  1.837±0.06 g/cm3(Predicted)
• 溶解度：
  氯仿（微溶）、甲醇（微溶）

计算性质

• 辛醇/水分配系数(LogP)：
  1.78
• 重原子数：
  5.0
• 可旋转键数：
  2.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

安全信息

• 危险品标志：
  T
• 海关编码：
  2903799090
• 储存条件：
  避免光照

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 1-Iodo-3-fluoropropane
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: 1-Iodo-3-fluoropropane
CAS number: 462-40-8

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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, refrigerated.
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: C3H6FI
Molecular weight: 188

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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, hydrogen fluoride, hydrogen Iodide.

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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：

  3-氟-1-碘代丙烷 在 C₁₃H₂₃BN₂ 作用下， 以 氘代苯 为溶剂， 反应 48.0h， 以49%的产率得到1-氟化丙烷
  参考文献：
  名称：

  二氢硼烷：用于硼氢化和加氢脱氟的选择性试剂。

  摘要：

  报道了由N，N-螯合配体[R 2 NCH 2 CH 2 NAr]-（R ＝烷基，Ar ＝芳基）支撑的一系列新的二氢硼烷的制备。这些新的硼烷与羰基，亚胺和一系列电子不足的氟代芳烃选择性反应。该反应性与公认的试剂（例如频哪硼烷，儿茶酚硼烷，NHC-BH3和硼烷（BH3）本身）互补。通过调用开环和闭环形式的试剂作为平衡混合物的一部分来合理化选择性。

  DOI：

  10.1021/acs.orglett.9b02515
• 作为产物：
  描述：

  3-碘丙醇 在 二乙胺基三氟化硫 作用下， 以 various solvent(s) 为溶剂， 反应 2.0h， 以74%的产率得到3-氟-1-碘代丙烷
  参考文献：
  名称：

  N-（3- [18F]氟丙基）-N-去甲北啡烷：正电子发射断层扫描成像阿片受体的新剂的合成与表征。

  摘要：

  合成了高亲和性阿片受体拮抗剂二肾上腺素（9）的一系列N-氟代烷基（1-5）和N-烷基（6-8）类似物，并通过体外结合试验进行了评估。用发射正电子的放射性核素18F（1a，2a，5a）制备了三种N-氟代烷基化合物，并确定了它们在大鼠中的生物分布。化合物2a和5a是通过两步标记程序制备的：三氟甲磺酸碘烷基酯的[18F]氟化物置换，然后进行N-烷基化，需要2小时，合成结束时总放射化学产率为4-6％。通过竞争性受体结合测定法测定的化合物2a和5a的有效比活性为840-1820 Ci / mmol。通过相同的两步程序，用三氟甲磺酸溴烷基酯以0.3-0制得化合物1a。有效比活为106-264 Ci / mmol时放射化学收率为6％。体内结合的特异性以纹状体组织的注射剂量/克的百分比除以小脑组织的注射剂量/克的百分比来测量。使用N-（3- [18F]-氟丙基）-N-去甲双氢吗啡（2a，[18F] FPN

  DOI：

  10.1021/jm00167a031

文献信息

• 四氢异喹啉类衍生物、其制备方法及其在医药上的应用
  申请人：江苏恒瑞医药股份有限公司

  公开号：CN111499614A

  公开（公告）日：2020-08-07

  本公开涉及一种四氢异喹啉类衍生物、其制备方法及其在医药上的应用。特别地，本公开涉及通式(I)所示的四氢异喹啉类衍生物、其制备方法及含有该衍生物的药物组合物，以及其作为雌激素受体调节剂的用途，和其在制备用于治疗雌激素受体介导的或依赖性的疾病或病症的药物中的用途。其中通式(I)的各取代基同说明书中的定义相同。
• [EN] NOVEL SUBSTITUTED N-(3-FLUOROPROPYL)-PYRROLIDINE COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND THERAPEUTIC USES THEREOF<br/>[FR] NOUVEAUX COMPOSÉS N-(3-FLUOROPROPYL)-PYRROLIDINE SUBSTITUÉS, LEURS PROCÉDÉS DE PRÉPARATION ET LEURS UTILISATIONS THÉRAPEUTIQUES
  申请人：SANOFI SA

  公开号：WO2018091153A1

  公开（公告）日：2018-05-24

  The present invention relates to novel substituted N-(3-fluoropropyl)-pyrrolidine compounds of formula (l-A): wherein R1 and R2 represent independently a hydrogen atom or a deuterium atom; A represents an oxygen or nitrogen atom; and SERM-F represents a selective estrogen receptor modulator fragment comprising an aryl or heteroaryl group linked to the adjacent "A" group. The invention also relates to the preparation and to the therapeutic uses of the compounds of formula (l-A) as inhibitors and degraders of estrogen receptors.

  本发明涉及新型的取代的N-(3-氟丙基)吡咯烷化合物，其化学式为(l-A)：其中R1和R2分别独立代表一个氢原子或一个氘原子；A代表一个氧原子或氮原子；SERM-F代表一个选择性雌激素受体调节剂片段，该片段包含与邻近的“A”基团相连的芳基或杂芳基。本发明还涉及化合物(l-A)的制备方法以及作为雌激素受体的抑制剂和降解剂的医疗用途。
• [EN] NOVEL HETEROCYCLIC COMPOUNDS AS ANTIMALARIAL AGENTS<br/>[FR] NOUVEAUX COMPOSÉS HÉTÉROCYCLIQUES UTILES EN TANT QU'AGENTS ANTIPALUDIQUES
  申请人：ACTELION PHARMACEUTICALS LTD

  公开号：WO2015028989A1

  公开（公告）日：2015-03-05

  The invention relates to novel heterocyclic compounds of the Formula I. The invention also concerns related aspects including processes for the preparation of the compounds, pharmaceutical compositions containing one or more compounds of the Formula I and especially their use as medicaments to treat or prevent malaria infections or to treat or prevent other protozoal diseases like sleeping sickness, Chagas disease, amebiasis, giardiasis, trichomoniasis, toxoplasmosis, and leishmaniasis.

  本发明涉及式I的新颖杂环化合物。本发明还涉及包括制备化合物的方法、包含式I的一个或多个化合物的药物组合物，尤其是它们作为药物用于治疗或预防疟疾感染或治疗或预防其他原虫疾病，如昏睡病、查加斯病、阿米巴病、贾第虫病、滴虫病、弓形虫病和利什曼病。
• ANTI-VIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE
  申请人：Leivers Martin Robert

  公开号：US20090226398A1

  公开（公告）日：2009-09-10

  Disclosed are compounds and compositions of Formula (I), pharmaceutically acceptable salts and solvates thereof, and their preparation and uses for treating viral infections mediated at least in part by a virus in the Flaviviridae family of viruses.

  披露了公式(I)的化合物和组合物、药物可接受的盐和溶剂化物，以及它们的制备和使用，用于治疗至少部分由黄病毒科病毒家族中的病毒介导的病毒感染。
• Bicyclic-Fused Heteroaryl or Aryl Compounds
  申请人：Pfizer Inc.

  公开号：US20150284405A1

  公开（公告）日：2015-10-08

  Compounds, tautomers and pharmaceutically acceptable salts of the compounds are disclosed, wherein the compounds have the structure of Formula Ia, as defined in the specification. Corresponding pharmaceutical compositions, methods of treatment, methods of synthesis, and intermediates are also disclosed.

  所述化合物的异构体和药学上可接受的盐已被披露，其中所述化合物具有如规范中定义的Ia式结构。相应的药物组合物、治疗方法、合成方法和中间体也已被披露。