五氟苯基二苯基磷酸酯 | 138687-69-1

• 物质功能分类: 有机原料 - 有机膦化合物
• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 五氟苯基二苯基磷酸酯
• 中文别名: 五氟苯基二苯基膦酸酯
• 英文名称: pentafluorophenyl diphenyl-phosphinate
• 英文别名: pentafluorophenyl diphenyl phosphinate；pentafluorophenyl diphenyiphosphinate；pentafluorophenyl diphenylphosphinate；pentaflurophenyl diphenylphosphinate；pentafluorophenyl diphenylphosphate；DFPP；1-diphenylphosphoryloxy-2,3,4,5,6-pentafluorobenzene
• CAS: 138687-69-1
• 化学式: C₁₈H₁₀F₅O₂P
• 分子量: 384.242
• InChiKey: OOWSDKUFKGVADH-UHFFFAOYSA-N

物化性质

• 熔点：
  47-50 °C (lit.)
• 沸点：
  413.1±55.0 °C(Predicted)
• 密度：
  1.45

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  26
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  7

安全信息

• 安全说明：
  S24/25
• WGK Germany：
  3
• 海关编码：
  29319090
• 危险品运输编号：
  NONH for all modes of transport
• 包装等级：
  III
• 危险类别：
  6.1
• 危险性防范说明：
  P201,P261,P280,P305+P351+P338,P308+P313
• 危险性描述：
  H315,H317,H319,H335,H360
• 储存条件：
  室温且干燥

SDS

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Section 1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE
Product name : Pentafluorophenyl diphenylphosphinate

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Section 2. HAZARDS IDENTIFICATION
Classification of the substance or mixture
Not a dangerous substance according to GHS.
This substance is not classified as dangerous according to Directive 67/548/EEC.
Label elements
Caution - substance not yet tested completely.
Other hazards - none

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Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
Formula : C18H10F5O2P
Molecular Weight : 384,24 g/mol
CAS-No. EC-No. Index-No. Classification Concentration
Pentafluorophenyl diphenylphosphinate
138687-69-1 - - - -

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Section 4. FIRST AID MEASURES
If inhaled
If breathed in, move person into fresh air. If not breathing, give artificial respiration.
In case of skin contact
Wash off with soap and plenty of water.
In case of eye contact
Flush eyes with water as a precaution.
If swallowed
Never give anything by mouth to an unconscious person. Rinse mouth with water.

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Section 5. FIRE-FIGHTING MEASURES
Suitable extinguishing media
Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
Special protective equipment for fire-fighters
Wear self contained breathing apparatus for fire fighting if necessary.

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Section 6. ACCIDENTAL RELEASE MEASURES
Personal precautions
Avoid dust formation. Avoid breathing vapors, mist or gas.
Environmental precautions
Do not let product enter drains.
Methods and materials for containment and cleaning up
Sweep up and shovel. Keep in suitable, closed containers for disposal.

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Section 7. HANDLING AND STORAGE
Precautions for safe handling
Provide appropriate exhaust ventilation at places where dust is formed. Normal measures for preventive fire
protection.
Conditions for safe storage
Keep container tightly closed in a dry and well-ventilated place. Store in cool place.

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Section 8. EXPOSURE CONTROLS/PERSONAL PROTECTION
Personal protective equipment
Respiratory protection
Respiratory protection is not required. Where protection from nuisance levels of dusts are desired, use
type N95 (US) or type P1 (EN 143) dust masks. Use respirators and components tested and approved
under appropriate government standards such as NIOSH (US) or CEN (EU).
Hand protection
Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique (without
touching glove's outer surface) to avoid skin contact with this product. Dispose of contaminated gloves
after use in accordance with applicable laws and good laboratory practices. Wash and dry hands.
The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and the
standard EN 374 derived from it.
Eye protection
Use equipment for eye protection tested and approved under appropriate government standards such as
NIOSH (US) or EN 166(EU).
Skin and body protection
Choose body protection in relation to its type, to the concentration and amount of dangerous substances,
and to the specific work-place., The type of protective equipment must be selected according to the
concentration and amount of the dangerous substance at the specific workplace.
Hygiene measures
General industrial hygiene practice.

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Section 9. PHYSICAL AND CHEMICAL PROPERTIES
Appearance
Form solid
Safety data
pH no data available
Melting point 47 - 50 °C - lit.
Boiling point no data available
Flash point no data available
Ignition temperature no data available
Lower explosion limit no data available
Upper explosion limit no data available
Water solubility no data available

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Section 10. STABILITY AND REACTIVITY
Chemical stability
Stable under recommended storage conditions.
Conditions to avoid
no data available
Materials to avoid
Strong oxidizing agents
Hazardous decomposition products
Hazardous decomposition products formed under fire conditions. - Carbon oxides, Hydrogen fluoride

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Section 11. TOXICOLOGICAL INFORMATION
Acute toxicity
no data available
Skin corrosion/irritation
no data available
Serious eye damage/eye irritation
no data available
Respiratory or skin sensitization
no data available
Germ cell mutagenicity
no data available
Carcinogenicity
IARC: No component of this product present at levels greater than or equal to 0.1% is identified as
probable, possible or confirmed human carcinogen by IARC.
Reproductive toxicity
no data available
Specific target organ toxicity - single exposure
no data available
Specific target organ toxicity - repeated exposure
no data available
Aspiration hazard
no data available
Potential health effects
Inhalation May be harmful if inhaled. May cause respiratory tract irritation.
Ingestion May be harmful if swallowed.
Skin May be harmful if absorbed through skin. May cause skin irritation.
Eyes May cause eye irritation.
Additional Information
RTECS: no data available

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Section 12. ECOLOGICAL INFORMATION
Toxicity
no data available
Persistence and degradability
no data available
Bioaccumulative potential
no data available
Mobility in soil
no data available
PBT and vPvB assessment
no data available
Other adverse effects
no data available

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Section 13. DISPOSAL CONSIDERATIONS
Product
Offer surplus and non-recyclable solutions to a licensed disposal company.
Contaminated packaging
Dispose of as unused product.

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Section 14. TRANSPORT INFORMATION
ADR/RID
Not dangerous goods
IMDG
Not dangerous goods
IATA
Not dangerous goods

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SECTION 15 - REGULATORY INFORMATION
N/A

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  五氟苯基二苯基磷酸酯 、 Pga-P/A1(20)-Ahx trifluoroacetate 在 N,N-二异丙基乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 0.33h， 生成
  参考文献：
  名称：

  [EN] CONJUGATES OF PROTEIN DRUGS AND P/A PEPTIDES
  [FR] CONJUGUÉS DE MÉDICAMENTS PROTÉIQUES ET DE PEPTIDES P/A

  摘要：

  本发明涉及一种蛋白药物和两个或更多P/A肽的共轭物，以及包含它们的制药组合物。本发明的共轭物与相应的未掩蔽蛋白药物相比具有明显降低的免疫原性，以及良好的安全性和耐受性，使它们特别适用于治疗用途。这些共轭物还表现出增强的血浆半衰期和因此延长的作用时间，相比未掩蔽的蛋白药物，这使得减少给药频率和副作用负担成为可能。本发明还提供了制备这种共轭物的方法，以及用作合成中间体的活化P/A肽。

  公开号：

  WO2018234455A1
• 作为产物：
  描述：

  五氟苯酚 、 二苯基次膦酰氯 在 咪唑 作用下， 以 二氯甲烷 为溶剂， 以92%的产率得到五氟苯基二苯基磷酸酯
  参考文献：
  名称：

  二肽合成中偶联试剂选择的比较研究

  摘要：

  摘要 对所选偶联试剂在二肽合成中的有效性进行了比较研究。研究中包括一种新的偶联试剂，五氟苯基二苯基次膦酸盐 (FDPP, 1)、苯并三唑-1-基-氧基三(二甲氨基) 六氟磷酸鏻(BOP, 2)、2-(1H-苯并三唑-1-基)-1， 1,3,3-四甲基六氟磷酸盐 (HBTU, 3) 和氯甲酸异丁酯 (IBCF, 4)。我们发现 BOP (2) 提供了最高的收率和最低的外消旋化限制。

  DOI：

  10.1080/00397919308009787
• 作为试剂：
  描述：

  3-(3-((2-((4-(4-((tert-butoxycarbonyl)amino)piperidin-1-yl)-3-(6-chloro-1H-benzo[d]imidazol-2-yl)-5-(3-fluoro-5-methylphenyl)pyridin-2-yl)amino)ethyl)amino)-3-oxopropoxy)propanoic acid 、 (2S,3R,4S,5S,6S)-2-(2-((S)-2-((S)-2-amino-3-methylbutanamido)-5-ureidopentanamido)-5-((5S,8S,11S,12R)-11-((S)-sec-butyl)-12-(2-((S)-2-((1R,2R)-3-(((1S,2R)-1-hydroxy-1-phenylpropan-2-yl)amino)-1-methoxy-2-methyl-3-oxopropyl)pyrrolidin-1-yl)-2-oxoethyl)-5,8-diisopropyl-4,10-dimethyl-3,6,9-trioxo-2,13-dioxa-4,7,10-triazatetradecyl)phenoxy)-6-(methoxycarbonyl)tetrahydro-2H-pyran-3,4,5-triyl triacetate 在 N-甲基吗啉 、 五氟苯基二苯基磷酸酯 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以71 %的产率得到(2S,3R,4S,5S,6S)-2-(2-((2S,5S)-16-((4-(4-((tert-butoxycarbonyl)amino)piperidin-1-yl)-3-(6-chloro-1H-benzo[d]imidazol-2-yl)-5-(3-fluoro-5-methylphenyl)pyridin-2-yl)amino)-5-isopropyl-4,7,13-trioxo-2-(3-ureidopropyl)-10-oxa-3,6,14-triazahexadecanamido)-5-((5S,8S,11S,12R)-11-((S)-sec-butyl)-12-(2-((S)-2-((1R,2R)-3-(((1S,2R)-1-hydroxy-1-phenylpropan-2-yl)amino)-1-methoxy-2-methyl-3-oxopropyl)pyrrolidin-1-yl)-2-oxoethyl)-5,8-diisopropyl-4,10-dimethyl-3,6,9-trioxo-2,13-dioxa-4,7,10-triazatetradecyl)phenoxy)-6-(methoxycarbonyl)tetrahydro-2H-pyran-3,4,5-triyl triacetate
  参考文献：
  名称：

  SOMATOSTATIN SUBTYPE-2 RECEPTOR (SST2R) TARGETED THERAPEUTICS AND USES THEREOF

  摘要：

  Described herein are somatostatin subtype-2 receptor (SST2R) targeted thereapeutics that target tumor cells expressing SST2R and their use in the treatment of cancer.

  公开号：

  WO2024129614A1

文献信息

• [EN] DIHYDROPYRROLONAPHTYRIDINONE COMPOUNDS AS INHIBITORS OF JAK<br/>[FR] COMPOSÉS DE DIHYDROPYRROLONAPHTYRIDINONE COMME INHIBITEURS DE JAK
  申请人：TAKEDA PHARMACEUTICAL

  公开号：WO2010144486A1

  公开（公告）日：2010-12-16

  Disclosed are JAK inhibitors of formula (I) where G1, R1, R2, R3, R4, R5, R6, and R7 are defined in the specification. Also disclosed are pharmaceutical compositions, kits and articles of manufacture which contain the compounds, methods and materials for making the compounds, and methods of using the compounds to treat diseases, disorders, and conditions involving the immune system and inflammation, including rheumatoid arthritis, hematological malignancies, epithelial cancers (i.e., carcinomas), and other diseases, disorders or conditions associated with JAK.

  揭示了式(I)的JAK抑制剂，其中G1、R1、R2、R3、R4、R5、R6和R7在规范中定义。还披露了含有这些化合物的药物组合物、试剂盒和制造物品，制备这些化合物的方法和材料，以及使用这些化合物治疗涉及免疫系统和炎症的疾病、紊乱和症状的方法，包括类风湿关节炎、血液恶性肿瘤、上皮癌（即癌症）和其他与JAK相关的疾病、紊乱或症状。
• [EN] BACKBONE-CYCLIZED PEPTIDOMIMETICS<br/>[FR] PEPTIDOMIMÉTIQUES À SQUELETTE CYCLISÉ
  申请人：POLYPHOR AG

  公开号：WO2016162127A1

  公开（公告）日：2016-10-13

  Novel backbone-cyclized peptidomimetics of the general formula cyclo[-P1-P2-P3-P4-P5-P6-P7-P8-T1-T2-] (I) wherein the single elements T or P are α-amino acid residues connected in either direction which, depending on their positions in the chain, are as defined in the description and the claims, and salts thereof, have the property to modulate the GLP-1 receptor. They can be used as medicaments to treat, prevent, or delay the onset of diseases, disorders or conditions in which modulation of the human GLP-1 receptor is beneficial, such as type 2 diabetes. These backbone-cyclized peptidomimetics can be manufactured by a process which is based on a mixed solid- and solution phase synthetic strategy.

  新型的骨架环化肽类似物的一般公式为cyclo[-P1-P2-P3-P4-P5-P6-P7-P8-T1-T2-]（I），其中单个元素T或P是α-氨基酸残基，以任一方向连接，根据它们在链中的位置，在描述和权利要求中定义，以及其盐，具有调节GLP-1受体的特性。它们可用作药物治疗、预防或延缓调节人类GLP-1受体有益的疾病、紊乱或病况，如2型糖尿病。这些骨架环化肽类似物可通过基于混合固相和溶液相合成策略的过程制造。
• [EN] SULFONYLATED TETRAHYDROAZOLOPYRAZINES AND THEIR USE AS MEDICINAL PRODUCTS<br/>[FR] TÉTRAHYDROAZOLOPYRAZINES SULFONYLÉES ET LEUR UTILISATION EN TANT QUE PRODUITS MÉDICAMENTEUX
  申请人：GRUENENTHAL GMBH

  公开号：WO2010099938A1

  公开（公告）日：2010-09-10

  The present invention relates to sulfonylated tetrahydroazolopyrazines, methods for the preparation thereof, medicinal products containing these compounds and the use of substituted indole compounds for the preparation of medicinal products (Formula I).

  本发明涉及磺酰化四氢咯啉吡嗪，其制备方法，含有这些化合物的药物产品以及用于制备药物产品的取代吲哚化合物的使用（式I）。
• [EN] TETRAHYDRO-BENZODIAZEPINONES<br/>[FR] TÉTRAHYDRO-BENZODIAZÉPINONES
  申请人：HOFFMANN LA ROCHE

  公开号：WO2015071393A1

  公开（公告）日：2015-05-21

  Disclosed are compounds of Formula I, or pharmaceutically acceptable salts thereof, wherein W, X, Y, Z, R1, R2, R3, R4 and R5 are as described in this application, and methods of using said compounds in the treatment of cancer.

  本申请公开了具有I式化合物或其药用可接受盐的化合物，其中W、X、Y、Z、R1、R2、R3、R4和R5如本申请所述，并且使用所述化合物治疗癌症的方法。
• HETEROCYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS
  申请人：Daiichi Sankyo Company, Limited

  公开号：US20140155398A1

  公开（公告）日：2014-06-05

  The present invention provides a heterocyclic compound of formula (I), a pharmaceutically acceptable salt thereof, a prodrug thereof or a hydrate thereof, wherein A, A′ B, D, R 1 , R 2 and R 3 are as defined herein, a pharmaceutical composition comprising a compound of formula (I) as an active ingredient, methods of production, and methods of use thereof. Particularly, the present invention provides a compound of formula (I) useful for treating or preventing a disease, condition or disorder associated with protein kinases, preferably Janus Kinase family.

  本发明提供了一种异环化合物，其化学式为（I），其药学上可接受的盐，其前药或水合物，其中A，A'，B，D，R1，R2和R3如本文所定义，包括一种以化合物（I）为活性成分的药物组合物，生产方法以及使用方法。特别是，本发明提供了一种化合物（I），用于治疗或预防与蛋白激酶相关的疾病，症状或紊乱，优选为Janus激酶家族。