1,2-双(苯基膦酰)乙烷 | 18899-64-4

• 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: 1,2-双(苯基膦酰)乙烷
• 中文别名: 1,2-双(苯基膦)乙烷；1,2-双（苯基膦）乙烷；1,2-双(苯基膦基)乙烷；1,2 - 双(苯基膦)乙烷
• 英文名称: 1,2-Bis(phenylphosphino)ethane
• 英文别名: phenyl(2-phenylphosphanylethyl)phosphane
• CAS: 18899-64-4
• 化学式: C₁₄H₁₆P₂
• 分子量: 246.229
• InChiKey: VBXSERPGINMTDE-UHFFFAOYSA-N

物化性质

• 沸点：
  160 °C(Press: 0.05 Torr)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  16
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

安全信息

• 危险等级：
  4.2
• 危险品运输编号：
  UN 2845
• 海关编码：
  2902909090
• 包装等级：
  I
• 危险类别：
  4.2

SDS

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Section 1: Product Identification
Chemical Name: 1,2-Bis(phenylphoshino)ethane, min. 90%
CAS Registry Number: 18899-64-4
Formula: (C6H5)HPCH2CH2PH(C6H5)
EINECS Number: 242-649-4
Chemical Family: organophosphine ligand
Synonym: Ethylene bis(phenylphosphine); ethane-1,2-diylbis(phenylphosphane)

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Section 2: Composition and Information on Ingredients
Ingredient CAS Number Percent ACGIH (TWA) OSHA (PEL)
Title compound 18899-64-4 100% no data no data

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Section 3: Hazards Identification
Harmful by inhalation. Irritating to skin, eyes and respiratory tract. Inhalation of vapors may lead to headache
Emergency Overview:
and dizziness.
Primary Routes of Exposure: Inhalation, skin, eyes
Eye Contact: Causes mild to severe irritation of the eyes.
Skin Contact: Causes mild irritation of the skin or severe thermal burns if ignited.
Harmful by inhalation. Inhalation may lead to headaches and dizziness. Irritating to nose and mucous
Inhalation:
membranes.
Ingestion: No information available on the physiological effects of ingestion. May be harmful if swallowed.
Acute Health Affects: Harmful by inhalation. Severe thermal burns may result if product spontaneously ignites.
Chronic Health Affects: No information on long-term chronic effects.
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: pyrophoric
Explosion Limits: pyrophoric
Extinguishing Medium: carbon dioxide, dry powder or foam
If this product 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 corrosive organic fumes and vapors of phosphorus pentoxide.
Decomposion Products:
Unusual Fire or Explosion Hazards: Spontaneously flammable in air, especially in contact with organic matter such as paper or cloth.

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SECTION 6: Accidental Release Measures
The material may ignite spontaneously in air. Avoid static discharge. Burning material may release toxic
fumes. In case of poor ventilation, leave the area unless fitted with a self-contained breathing apparatus. Small
Spill and Leak Procedures:
spills can be smothered with ground limestone, sodium bicarbonate or other suitable adsorbent, swept up and
held in a closed container.

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SECTION 7: Handling and Storage
Store in a tightly sealed container under an inert atmosphere of nitrogen or argon. Keep away from heat.
Handling and Storage: Material should be transferred under an inert atmosphere of nitrogen or argon in an efficient fume hood. Fire
may occur in empty container and transfer lines.

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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: 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: 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 to yellow liq.
Molecular Weight: 246.22
Melting Point: no data
Boiling Point: no data
Vapor Pressure: no data
Specific Gravity: no data
Odor: none
Solubility in Water: insoluble

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SECTION 10: Stability and Reactivity
Stability: pyrophoric liq.
Hazardous Polymerization: no hazardous polymerization
Conditions to Avoid: contact with air. Material may spontaneously ignite.
Incompatibility: oxidizing agents, halogens, air, halocarbons
Decomposition Products: carbon monoxide, carbon dioxide, phosphorus oxides and organic fumes.

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

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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): Pyrophoric liquid, N.O.S.
Hazard Class (CFR): 4.2
Additional Hazard Class (CFR): NA
Packaging Group (CFR): I
UN ID Number (CFR): UN# 2845
Shipping Name (IATA): Forbidden
Hazard Class (IATA): NA
Additional Hazard Class (IATA): NA
Packaging Group (IATA): NA
UN ID Number (IATA): NA

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SECTION 15: Regulatory Information
TSCA: Not listed in the TSCA inventory
SARA (Title 313): Not reportable under SARA 313
Second Ingredient: none

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  1,2-双(苯基膦酰)乙烷 在 硼烷四氢呋喃络合物 作用下， 以 四氢呋喃 为溶剂， 以66%的产率得到
  参考文献：
  名称：

  第一个双齿膦基硼氢化物：对[CpFe（CO）2 I]的合成，结构和反应活性

  摘要：

  的膦-硼烷加合物的脱质子化的外消旋/内消旋- （HP（BH 3）（PH）CH 2）2（2）与KH提供对双齿phosphanylborohydride容易访问外消旋/内消旋-K 2 [（P（BH 3）（ Ph）CH 2）2 ]（3）。用两当量的[CpFe（CO）2 I]处理3得到双核络合物rac / meso -[（CpFe（CO）2）2- μ-（P（BH 3）（Ph）CH 2）2 ]（4）。纯非对映异构体meso - 2，meso - 3（thf）4和rac - 4的单晶分别由甲苯/戊烷，乙醚/ thf和苯/戊烷生长而成。所有三种化合物的分子结构已通过X射线晶体学测定。

  DOI：

  10.1016/j.jorganchem.2007.03.006
• 作为产物：
  描述：

  1,2-bis[isopropoxy(phenyl)phosphoryl]ethane 在 lithium aluminium tetrahydride 作用下， 以 乙醚 为溶剂， 反应 4.0h， 以44%的产率得到1,2-双(苯基膦酰)乙烷
  参考文献：
  名称：

  1,3,6-氮杂二磷酸环庚烷：一种新型杂环二膦

  摘要：

  新型七元环二膦，即 1,3,6-氮杂二磷环庚烷，是通过 1,2-双（苯基膦基）乙烷、甲醛和伯胺（苯胺、对甲苯胺、苄胺和5-氨基间苯二甲酸）作为外消旋和内消旋立体异构体的混合物。通过 X 射线晶体结构分析研究了 N-甲苯基和 N-(3',5'-二羧基苯基)-取代的二膦的外消旋立体异构体的结构。N-(3',5'-二羧基苯基)-取代化合物的立体异构体在制备规模上被分离，并获得了它们的二氯化铂(II)配合物。相应的内消旋异构体很容易与 [PtCl2(cod)] 形成 P,P-螯合物，而外消旋立体异构体则形成低聚复合物。© 2008 Wiley Periodicals, Inc. 杂原子化学 19:125–132, 2008; 在线发表于 Wiley InterScience (www.interscience.wiley.com)。DOI 10.1002/hc.20397

  DOI：

  10.1002/hc.20397
• 作为试剂：
  描述：

  2-乙炔基-2-甲基环氧乙烷 、 乙酰乙酸甲酯 在 tris(dibenzylideneacetone)dipalladium(0) chloroform complex 1,2-双(苯基膦酰)乙烷 作用下， 以 四氢呋喃 为溶剂， 反应 2.0h， 生成 5-Hydroxymethyl-2,5-dimethyl-4-methylene-4,5-dihydro-furan-3-carboxylic acid methyl ester
  参考文献：
  名称：

  钯催化的碳酸2-炔基碳酸酯或2-（1-炔基）肟酯与β-酮酯的呋喃反应

  摘要：

  描述了通过碳酸2-炔基碳酸酯与β-酮酯的钯催化反应的新的呋喃脱嵌。反应在温和的中性条件下进行，因此可以以这种方式制备不稳定的3-亚烷基-2，3-二氢呋喃。类似地，使2-（1-炔基）氧杂环戊烷与β-酮酯反应，得到亚烷基呋喃。

  DOI：

  10.1016/0022-328x(87)80052-9

文献信息

• [EN] COMBINATIONS OF INHIBITORS OF IRAK4 WITH INHIBITORS OF BTK<br/>[FR] COMBINAISONS D'INHIBITEURS DE L'IRAK4 À L'AIDE D'INHIBITEURS DE LA BTK
  申请人：BAYER PHARMA AG

  公开号：WO2016174183A1

  公开（公告）日：2016-11-03

  The present application relates to novel combinations of at least two components, component A and component B: · component A is an IRAK4-inhibiting compound of the formula (I) as defined herein, or a diastereomer, an enantiomer, a metabolite, a salt, a solvate or a solvate of a salt thereof; · component B is a BTK-inhibiting compound, or a pharmaceutically acceptable salt thereof; and, optionally, · one or more components C which are pharmaceutical products; in which one or two of the above-defined compounds A and B are optionally present in pharmaceutical formulations ready for simultaneous, separate or sequential administration, for treatment and/or prophylaxis of diseases, and to the use thereof for production of medicaments for treatment and/or prophylaxis of diseases, especially for treatment and/or prophylaxis of endometriosis, lymphoma, macular degeneration, COPD, neoplastic disorders and psoriasis.

  本申请涉及至少两种组分的新型组合，组分A和组分B：·组分A是根据本文所定义的式(I)的IRAK4抑制化合物，或其对映体、对映异构体、代谢物、盐、溶剂合物或其盐的溶剂合物；·组分B是BTK抑制化合物，或其药学上可接受的盐；以及，可选地，·一种或多种组分C，它们是药用产品；其中上述定义的化合物A和B中的一种或两种可选择地存在于用于治疗和/或预防疾病的制剂中，准备用于同时、分开或顺序给药，用于治疗和/或预防疾病，以及用于生产用于治疗和/或预防疾病的药物的用途，特别是用于治疗和/或预防子宫内膜异位症、淋巴瘤、黄斑变性、慢性阻塞性肺病、肿瘤性疾病和牛皮癣。
• NEW PROCESS
  申请人：ZHEJIANG JIUZHOU PHARMACEUTICAL CO., LTD

  公开号：US20150210632A1

  公开（公告）日：2015-07-30

  The invention relates to a new enantioselective process for producing useful intermediates for the manufacture of NEP inhibitors or prodrugs thereof, in particular NEP inhibitors comprising a γ-amino-δ-biphenyl-α-methylalkanoic acid, or acid ester, backbone.

  本发明涉及一种新的手性选择性工艺，用于生产制造NEP抑制剂或其前药的有用中间体，特别是包含γ-氨基-δ-联苯-α-甲基链烷酸或酸酯骨架的NEP抑制剂。
• [EN] PROCESS FOR THE PREPARATION OF (E)-3-(4-((E)-2-(2-CHLORO-4-FLUOROPHENYL)-1-(1H-INDAZOL-5-YL)BUT-1-EN-1-YL)PHENYL)ACRYLIC ACID<br/>[FR] PROCÉDÉ POUR LA PRÉPARATION D'ACIDE (E)-3-(4-((E)-2-(2-CHLORO-4-FLUOROPHÉNYL)-1-(1H-INDAZOL-5-YL)BUT-1-ÉN-1-YL)PHÉNYL)ACRYLIQUE
  申请人：HOFFMANN LA ROCHE

  公开号：WO2017060326A1

  公开（公告）日：2017-04-13

  Processes are described for the preparation of estrogen receptor modulating compound, (E)-3-(4-((E)-2-(2-chloro-4-fluorophenyl)-1-(1H-indazol-5-yl)but-1-en-1-yl)phenyl)acrylic acid (I): and salts thereof, and intermediates useful for the preparation of (I).

  描述了一种用于制备雌激素受体调节化合物(E)-3-(4-((E)-2-(2-氯-4-氟苯基)-1-(1H-吲哚-5-基)丁-1-烯-1-基)苯基)丙烯酸(I)及其盐的方法，以及用于制备(I)的中间体。
• NEW 2-SUBSTITUTED INDAZOLES, METHODS FOR PRODUCING SAME, PHARMACEUTICAL PREPARATIONS THAT CONTAIN SAME, AND USE OF SAME TO PRODUCE DRUGS
  申请人：Bayer Pharma Aktiengesellschaft

  公开号：US20190071432A1

  公开（公告）日：2019-03-07

  The present application relates to novel substituted indazoles, to processes for preparation thereof, to the use thereof alone or in combinations for treatment and/or prophylaxis of diseases, and to the use thereof for production of medicaments for treatment and/or prophylaxis of diseases, especially for treatment and/or prophylaxis of endometriosis and endometriosis-associated pain and other endometriosis-associated symptoms such as dysmenorrhoea, dyspareunia, dysuria and dyschezia, of lymphoma, rheumatoid arthritis, spondyloarthritis (especially psoriatic spondyloarthritis and Bekhterev's disease), lupus erythematosus, multiple sclerosis, macular degeneration, COPD, gout, fatty liver disorders, insulin resistance, neoplastic disorders and psoriasis.

  本申请涉及新型取代吲唑并[1,2,3]三唑化合物，其制备方法，其单独或组合用于治疗和/或预防疾病的用途，以及其用于制备用于治疗和/或预防疾病的药物的用途，特别是用于治疗和/或预防子宫内膜异位症及其相关疼痛和其他子宫内膜异位症症状，如经痛、性交痛、排尿困难和排便困难，淋巴瘤、类风湿关节炎、脊柱关节炎（特别是银屑病性脊柱关节炎和贝赫切夫病）、红斑狼疮、多发性硬化、黄斑变性、慢性阻塞性肺病、痛风、脂肪肝疾病、胰岛素抵抗、肿瘤性疾病和银屑病。
• Substrate and Catalyst Screening in Platinum-Catalyzed Asymmetric Alkylation of Bis(secondary) Phosphines. Synthesis of an Enantiomerically Pure <i>C</i>₂-Symmetric Diphosphine
  作者：Brian J. Anderson、David S. Glueck、Antonio G. DiPasquale、Arnold L. Rheingold

  DOI：10.1021/om800534k

  日期：2008.10.13

  Platinum-catalyzed asymmetric alkylation of bis(secondary) phosphines was investigated. The modular design of the catalyst precursor Pt(diphos*)(R′)(Cl) and the substrates, a bis(secondary) phosphine HRP∼PHR and a benzyl halide, along with an efficient 31P NMR screening method, enabled rapid evaluation of the rate and diastereoselectivity of these reactions. These experiments identified a selective

  研究了铂催化的双（仲）膦的不对称烷基化反应。催化剂前体Pt（diphos *）（R'）（Cl）和底物，双（仲）膦HRP〜PHR和苄基卤的模块化设计以及有效的31 P NMR筛选方法可实现快速评估这些反应的速率和非对映选择性。这些实验确定了选择性催化剂Pt（DuPhos）（Ph）（Cl），并且表明PhHP（CH 2）3 PHPh（2）的烷基化比PhHP（CH 2）2 PHPh（1），MesHP（CH 2）3 PHMes（3）或1,1'-（C5 H 4 PHPh）2 Fe（4）。的烷基化1与ö -CF 3 Ç 6 ħ 4 CH 2溴采用基NaOSiMe 3和催化剂前体的Pt（（[R ，- [R ）-我-Pr-DUPHOS）（PH）（CL），或类似的ME- DuPhos络合物，得到二膦Ph（CH 2 o -CF 3 C 6 H 4）P（CH 2）2 P（CH 2 o -CF 3 C 6 H4）P