1,3-双(苯基膦酰)丙烷 | 28240-66-6

• 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: 1,3-双(苯基膦酰)丙烷
• 中文别名: 1,3-双(苯基膦)丙烷
• 英文名称: 1,3-Bis(phenylphosphino)propan
• 英文别名: 1,3-bis(phenylphosphano)propane；1,3-bis(phenylphosphino)propane；phenyl(3-phenylphosphanylpropyl)phosphane
• CAS: 28240-66-6
• 化学式: C₁₅H₁₈P₂
• mdl: MFCD00014079
• 分子量: 260.255
• InChiKey: AVNRJUHUOZDFKS-UHFFFAOYSA-N

物化性质

• 沸点：
  160-165°C 1mm
• 闪点：
  160-165°C/1mm
• 稳定性/保质期：
  如果按照规格使用和储存，则不会分解，也未有已知危险反应。避免与氧化物接触。

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  17
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

安全信息

• 危险品运输编号：
  UN 1993
• 海关编码：
  2902909090
• 安全说明：
  S16,S33,S9
• 危险类别码：
  R11
• 储存条件：
  请将贮藏器密封保存在阴凉干燥处，并确保工作环境具有良好的通风或排气设施。

SDS

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Section 1: Product Identification
Chemical Name: 1,3-Bis(phenylphosphino)propane, 90-95%
CAS Registry Number: 28240-66-6
Formula: C6H5P(H)CH2CH2CH2(H)PC6H5
EINECS Number: none
Chemical Family: organophosphine ligand
Synonym: None

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Section 2: Composition and Information on Ingredients
Ingredient CAS Number Percent ACGIH (TWA) OSHA (PEL)
Title Compound 28240-66-6 100% no data no data

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Section 3: Hazards Identification
Emergency Overview: Irritating to skin, eyes and respiratory tract. May be harmful if swallowed.
Primary Routes of Exposure: Ingestion, inhalation
Eye Contact: Causes slight to mild irritation of the eyes.
Skin Contact: Causes slight to mild irritation of the skin.
Inhalation: Irritating to the nose, mucous membranes and respiratory tract.
Ingestion: No information on the physiological effects of ingestion.
Acute Health Affects: Irritating to skin, eyes and respiratory tract.
Chronic Health Affects: No information on the effects of long-term exposure.
NTP: No
IARC: No
OSHA: No

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SECTION 4: First Aid Measures
Immediately flush the eyes with copious amounts of water for at least 10-15 minutes. A victim may need
Eye Exposure:
assistance in keeping their eye lids open. Get immediate medical attention.
Wash the affected area with water. Remove contaminated clothes if necessary. Seek medical assistance if
Skin Exposure:
irritation persists.
Remove the victim to fresh air. Closely monitor the victim for signs of respiratory problems, such as difficulty
Inhalation:
in breathing, coughing, wheezing, or pain. In such cases seek immediate medical assistance.
Seek medical attention immediately. Keep the victim calm. Give the victim water (only if conscious). Induce
Ingestion:
vomiting only if directed by medical personnel.

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SECTION 5: Fire Fighting Measures
Flash Point: no data
Autoignition Temperature: no data
Explosion Limits: no data
Extinguishing Medium: carbon dioxide, dry powder or foam
If this material is involved in a fire, fire fighters should be equipped with a NIOSH approved positive pressure
Special Fire Fighting Procedures:
self-contained breathing apparatus and full protective clothing.
Hazardous Combustion and If involved in a fire this material may emit toxic organic fumes.
Decomposion Products:
Unusual Fire or Explosion Hazards: Flammable liquid. No unusual fire or explosion hazards.

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SECTION 6: Accidental Release Measures
Remove sources of ignition. Small spills can be mixed with vermiculite, sodium carbonate or other suitable non
Spill and Leak Procedures:
combustible adsorbent and swept up.

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SECTION 7: Handling and Storage
Store in a tightly sealed container. Keep away from heat and direct sunlight. Prolonged exposure to air may
Handling and Storage:
result in the degradation of the product.

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SECTION 8: Exposure Controls and Personal Protection
Eye Protection: Always wear approved safety glasses when handling a chemical substance in the laboratory.
Skin Protection: Wear protective clothing and gloves.
Ventilation: If possible, handle the material in an efficient fume hood.
If ventilation is not available a respirator should be worn. The use of respirators requires a Respirator
Respirator:
Protection Program to be in compliance with 29 CFR 1910.134.
Ventilation: If possible, handle the material in an efficient fume hood.
Additional Protection: No additional protection required.

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SECTION 9: Physical and Chemical Properties
Color and Form: colorless liq.
Molecular Weight: 260.26
Melting Point: no data
Boiling Point: 160-165°C/1 mm
Vapor Pressure: no data
Specific Gravity: no data
Odor: mild odor
Solubility in Water: insoluble

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SECTION 10: Stability and Reactivity
Stability: air sensitive liquid
Hazardous Polymerization: no hazardous polymerization
Conditions to Avoid: prolonged contact with air
Incompatibility: oxidizing agents and halogens
Decomposition Products: carbon dioxide, carbon monoxide, phosphorus oxide, and organic fumes

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SECTION 11: Toxicological Information
RTECS Data: No information available in the RTECS files.
Carcinogenic Effects: No data available
Mutagenic Effects: No data available
Tetratogenic Effects: No data available

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SECTION 12: Ecological Information
Ecological Information: No information available

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SECTION 13: Disposal Considerations
Disposal: Dispose of according to local, state and federal regulations.

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SECTION 14: Transportation
Shipping Name (CFR): Flammable liquids, N.O.S.
Hazard Class (CFR): 3
Additional Hazard Class (CFR): NA
Packaging Group (CFR): II
UN ID Number (CFR): UN# 1993
Shipping Name (IATA): Flammable liquid, N.O.S.
Hazard Class (IATA): 3
Additional Hazard Class (IATA): NA
Packaging Group (IATA): II
UN ID Number (IATA): UN# 1993

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SECTION 15: Regulatory Information
TSCA: Not listed in the TSCA inventory.
SARA (Title 313): Title compound not listed.
Second Ingredient: none

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  1,3-双(苯基膦酰)丙烷 在 盐酸 、 三乙胺 作用下， 以 甲醇 、 水 为溶剂， 反应 4.0h， 生成 1-Methyl-3-[[3-[(3-methyl-2-sulfanylideneimidazol-1-yl)methyl-phenylphosphanyl]propyl-phenylphosphanyl]methyl]imidazole-2-thione
  参考文献：
  名称：

  [EN] BIS 2H-IMIDAZOLE-2-THIONE CHELATING AGENTS AS LIGANDS FOR RADIOPHARMACEUTICAL IN VIVO IMAGING
  [FR] AGENTS CHÉLATEURS DE TYPE BIS 2H-IMIDAZOLE-2-THIONE À TITRE DE LIGANDS POUR RADIOPHARMACEUTIQUES DANS L'IMAGERIE IN VIVO

  摘要：

  本发明属于体内成像放射性药物制剂领域，包括放射性金属的金属配合物 - 无论是自由形式还是与生物靶向分子结合的形式。本发明提供基于硫醇的新型螯合剂，用于制备这种放射性金属配合物和放射性药物。本发明还提供这些螯合剂的放射性金属配合物及其制备方法，以及放射性药物组成物、试剂盒和成像方法。

  公开号：

  WO2014096191A1
• 作为产物：
  描述：

  1,3-双(二苯基膦)丙烷 在 氨 、 sodium 作用下， 反应 1.0h， 生成 1,3-双(苯基膦酰)丙烷
  参考文献：
  名称：

  碳磷键与碱金属的还原裂解。三，芳基烷基膦的反应

  摘要：

  苯烷基膦Ph 2 PR，PhPR 2（R = Bu，iPr）与Na / NH 3的还原裂解是非选择性的：苯基和烷基都可以裂解，并且可能发生桦木还原。Ph 2 tBuP的反应产生了高产率的二苯基磷化物。伯烷基的ω位置的极性基团（CO 2 Na，SO 3，Na）可能导致选择性增加；桦木还原得到抑制，并获得官能化的仲磷化物。

  DOI：

  10.1002/recl.19921110402
• 作为试剂：
  描述：

  一氧化碳 、 苯硫酚 、 2-甲基-1-丁烯-3-炔 在 palladium diacetate 、 1,3-双(苯基膦酰)丙烷 作用下， 以 四氢呋喃 为溶剂， 110.0 ℃ 、2.76 MPa 条件下， 反应 8.0h， 以54%的产率得到3-Methyl-2-methylene-but-3-enethioic acid S-phenyl ester
  参考文献：
  名称：

  钯配合物催化共轭烯与硫醇和一氧化碳的高度化学和区域选择性硫羰基化：2-（苯硫基羰基）-1,3-二烯的高效原子经济反应。

  摘要：

  在催化量的Pd（OAc）（2）（3 mol％）和1,3-双（二苯基膦基）丙烷存在下，带有末端三键的1，3-共轭烯与硫醇和一氧化碳的反应（6在110℃下，在THF中得到1摩尔％的2-（苯基硫代羰基）-1，3-二烯，产率中等至良好。硫羰基化反应具有很高的化学和区域选择性，苯硫羰基的攻击只发生在1,3-共轭烯炔的碳2上。

  DOI：

  10.1021/jo9824246

文献信息

• <i>Ortho</i> -Trialkylstannyl Arylphosphanes by C-P and C-Sn Bond Formation in Arynes
  作者：Yuanming Li、Shyamal Chakrabarty、Christian Mück-Lichtenfeld、Armido Studer

  DOI：10.1002/anie.201509329

  日期：2016.1.11

  A novel and efficient approach to ortho‐trialkylstannyl arylphosphanes by the reaction of arynes generated in situ with stannylated phosphanes (R3SnPR2) is described. Concurrent CP and CSn bond formation occurs with high yields, and stannylated products are easily transformed into valuable ortho‐substituted arylphosphanes. The reaction features high efficiency, good regioselectivity, and excellent

  一种新颖和有效的方法来邻位由就地与stannylated膦生成arynes的反应-trialkylstannyl arylphosphanes（R 3 Sn的 PR 2）进行说明。并发Ç  P和C  Sn键的形成具有高的产率发生，并且stannylated产品很容易转化成有价值的邻位-取代的arylphosphanes。该反应具有高效率，良好的区域选择性和优异的实用性的特征。
• 1-(N-phenylalkylaminoalkyl)piperazine derivatives substituted at position 2 of the phenyl ring
  申请人：Recordati S.A., Chemical and Pharmaceutical Comoany

  公开号：US20020193383A1

  公开（公告）日：2002-12-19

  The present invention is directed to novel 1-(N-phenylaminoalkyl)piperazine derivatives substituted at the position 2 of the phenyl ring. Pharmaceutical compositions comprising the compounds of the invention also are contemplated. The compounds of the present invention also are contemplated for use in treating neuromuscular dysfunction of the lower urinary tract in a mammal.

  本发明涉及在苯环的位置2被取代的新型1-(N-苯基氨基烷基)哌嗪衍生物。还考虑包括本发明化合物的药物组合物。本发明化合物还被考虑用于治疗哺乳动物下尿路神经肌肉功能障碍。
• HSP90 INHIBITING INDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SAME AND USE THEREOF
  申请人：Bertin Luc

  公开号：US20120010241A1

  公开（公告）日：2012-01-12

  The invention relates to novel products having formula (I), wherein: R4 represents H, CH3, CH2CH3, CF3, F, Cl, Br, I; Het represents a heterocycle optionally substituted by one or more R1 or R′1 radicals selected from H, halogen, CF3, nitro, cyano, alkyl, hydroxy, mercapto, amino, alkylamino, dialkylamino, alkoxy, phenylalkoxy, alkylthio, carboxy that is free or sterified with an alkyl radical, carboxamide, CO—NH(alkyl), CON(alkyl)2, NH—CO-alkyl, sulfonamide, NH—SO2-alkyl, S(O)2-NHalkyl, S(O2)-N(alkyl)2, all of the alkyl, alkoxy and alkylthio radicals being optionally substituted; R being selected from the group comprising (A′), (B), (C), (D) and (F), wherein W1, W2, W3 represent independently CH or N, X represents O, S, NR2, C(O), S(O) or S(O)2; V represents H, Hal, —O—R2 or —NH—R2 with R2 representing H, alkyl, cycloalkyl or heterocycloalkyl, optionally substituted; said products being in all isomer forms, as well as the salts and intended for use as drugs.

  本发明涉及具有公式(I)的新产品，其中：R4代表H，CH3，CH2CH3，CF3，F，Cl，Br，I；Het代表一个杂环，可选地由一个或多个R1或R'1自由基取代，这些自由基选自H，卤素，CF3，硝基，腈基，烷基，羟基，巯基，氨基，烷基氨基，二烷基氨基，烷氧基，苯基烷氧基，烷基硫醚，游离或与烷基自由基酯化的羧基，羧酰胺，CO—NH(烷基)，CON(烷基)2，NH—CO-烷基，磺酰胺，NH—SO2-烷基，S(O)2-NH烷基，S(O2)-N(烷基)2，所有烷基，烷氧基和烷基硫醚自由基都是可选取代的；R选自包括(A′)，(B)，(C)，(D)和(F)的组，其中W1，W2，W3独立代表CH或N，X代表O，S，NR2，C(O)，S(O)或S(O)2；V代表H，Hal，—O—R2或—NH—R2，R2代表H，烷基，环烷基或杂环烷基，可选取代；所述产品为所有异构体形式，以及盐，用于作为药物使用。
• PHARMACEUTICAL COMPOSITION AND THE USE THEREOF, AND APPLICATION REGIME OF SAID PHARMACEUTICAL COMPOSITION FOR ON-DEMAND CONTRACEPTION
  申请人：BAYER PHARMA AKTIENGESELLSCHAFT

  公开号：US20160089364A1

  公开（公告）日：2016-03-31

  The invention relates to a pharmaceutical composition for non-hormonal, on-demand contraception and to processes for preparing this pharmaceutical composition. The latter comprises 2H-indazole as novel EP2 receptor antagonists in combination with COX inhibitors. The invention furthermore provides a method for non-hormonal female-controlled on-demand contraception where a pharmaceutical composition comprising EP2 receptor antagonists in combination with COX inhibitors is taken on demand prior to expected sexual intercourse.

  这项发明涉及一种用于非激素、按需避孕的药物组合物，以及制备该药物组合物的方法。后者包括2H-吲哚唑作为新型EP2受体拮抗剂，与COX抑制剂结合使用。该发明还提供了一种非激素女性控制的按需避孕方法，其中在预期性交前按需服用含有EP2受体拮抗剂与COX抑制剂的药物组合物。
• [EN] (DIHYDRO)PYRROLO[2,1-A]ISOQUINOLINES<br/>[FR] (DIHYDRO)PYRROLO[2,1-?]ISOQUINOLINES
  申请人：ORGANON NV

  公开号：WO2009098283A1

  公开（公告）日：2009-08-13

  The invention relates to 5,6 - dihydropyrrolo [2,1-a] isoquinoline and pyrrolo[2,1-a] isoquinoline derivatives according to general formula (I) or a pharmaceutically acceptable salt thereof. The compounds can be used for the treatment of infertility.

  这项发明涉及根据通式（I）制备的5,6-二氢吡咯并[2,1-a]异喹啉和吡咯并[2,1-a]异喹啉衍生物，或其药学上可接受的盐。这些化合物可用于治疗不孕症。