1,5-二(二叔丁基膦)戊烷 | 65420-68-0

• 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 - 有机磷化合物 - 有机膦及其衍生物
• 中文名称: 1,5-二(二叔丁基膦)戊烷
• 中文别名: 1,5-双(二叔丁基膦)戊烷
• 英文名称: 1,5-bis(di-tert-butylphosphino)pentane
• 英文别名: 1,5-bis(di-t-butylphosphino)pentane；(t-Bu2PCH2CH2)2CH2；Bu(t)2P(CH2)5PBu(t)2；D(t)BPP；ditert-butyl(5-ditert-butylphosphanylpentyl)phosphane
• CAS: 65420-68-0
• 化学式: C₂₁H₄₆P₂
• 分子量: 360.544
• InChiKey: LZOGYLUPNPTZLL-UHFFFAOYSA-N

物化性质

• 沸点：
  409.3±28.0 °C(Predicted)
• 稳定性/保质期：
  遵照规定使用和储存，则不会分解。

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  23
• 可旋转键数：
  10
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

安全信息

• 危险类别码：
  R36/37/38
• 海关编码：
  2901100000
• 安全说明：
  S26,S36/37/39

SDS

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Section 1: Product Identification
Chemical Name: 1,5-Bis(di-t-butylphosphino)pentane, min. 97%
CAS Registry Number: 65420-68-0
Formula: (C4H9)2P(CH2)5P(C4H9)2
EINECS Number: none
Chemical Family: organophosphine ligand
Synonym: 1,5-Bis-di-tert-butylphosphanyl-pentane

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Section 2: Composition and Information on Ingredients
Ingredient CAS Number Percent ACGIH (TWA) OSHA (PEL)
Title compound 65420-68-0 100% no data no data

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Section 3: Hazards Identification
Emergency Overview: Irritating to skin, eyes and respiratory tract.
Primary Routes of Exposure: Ingestion, inhalation, skin, eyes
Eye Contact: Causes irritation to eyes
Skin Contact: Causes irritation to skin
Inhalation: Irritating to the nose, mucous membranes and respiratory tract.
Ingestion: No information available on the physiological effects of ingestion. May be harmful if swallowed.
Acute Health Affects: Irritating to skin, eyes and respiratory tract.
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: none
Autoignition Temperature: none
Explosion Limits: none
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 irritating fumes.
Decomposion Products:
Unusual Fire or Explosion Hazards: No unususal fire or explosion hazards.

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SECTION 6: Accidental Release Measures
Spill and Leak Procedures: Small spills can be mixed with vermiculite or sodium carbonate and swept up.

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SECTION 7: Handling and Storage
Handling and Storage: Store in a tightly sealed container. Keep in a cool, dry, well ventilated place.

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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, viscous liquid
Molecular Weight: 360.54
Melting Point: no data
Boiling Point: no data
Vapor Pressure: no data
Specific Gravity: no data
Odor: not determined
Solubility in Water: insoluble

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SECTION 10: Stability and Reactivity
Stability: air sensitive
Hazardous Polymerization: no hazardous polymerization
Conditions to Avoid: none
Incompatibility: oxidizing agents, halogens
Decomposition Products: carbon monoxide, carbon dioxide, phosphorus pentoxide, 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): Non-hazardous
Hazard Class (CFR): NA
Additional Hazard Class (CFR): NA
Packaging Group (CFR): NA
UN ID Number (CFR): NA
Shipping Name (IATA): Non-hazardous
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): Title compound not listed
Second Ingredient: none

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SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

制备方法

用作化学试剂。

用途简介

暂无相关信息。

用途

用作化学试剂。

反应信息

• 作为反应物：
  描述：

  1,5-二(二叔丁基膦)戊烷 在 carbon monoxide 作用下， 以 乙醇 、 甲苯 为溶剂， 生成
  参考文献：
  名称：

  Crocker, Christopher; Errington, R. John; Markham, Richard, Journal of the Chemical Society, Dalton Transactions, 1982, p. 387 - 396

  摘要：

  DOI：
• 作为产物：
  描述：

  1,5-bis(di-t-butylphosphonio)pentane dibromide 在 sodium hydroxide 作用下， 以 二氯甲烷 、 水 为溶剂， 反应 1.5h， 以70%的产率得到1,5-二(二叔丁基膦)戊烷
  参考文献：
  名称：

  Isolation and X-ray structures of four Rh(PCP) complexes including a Rh(I) dioxygen complex with a short O–O bond

  摘要：

  The reaction of RhCl3 center dot H2O with (Bu2P)-Bu-t(CH2)(5)(PBu2)-Bu-t afforded several complexes including [Rh-III(H)Cl{(Bu2P)-Bu-t(CH2)(2)CH(CH2)(2)(PBu2)-Bu-t}] (1). [(RhHCl2)-H-III{(Bu2P)-Bu-t(CH2)(5)(PBu2)-Bu-t}](2) (2), [(RhCl)-Cl-I{(Bu2P)-Bu-t(CH2)(2)CH=(CHCH2PBu2)-Bu-t}] (3) and [(RhCl)-Cl-I{(Bu2PCH2C)-Bu-t(O)CH=(CHCH2PBu2)-Bu-t}] (4). X-ray crystal structures of 3 and 4 showed that the C=C bond on the C-5 unit of (Bu2P)-Bu-t(CH2)(5)(PBu2)-Bu-t is bound to Rh(I) in a eta(2) configuration. In 4, the Rh atom has a trigonal pyramidal coordination geometry. The X-ray crystal structure of 2 consists of two rhodium(III) centers bridged by two (Bu2P)-Bu-t(CH2)(5)(PBu2)-Bu-t ligands with two phosphorus atoms, one from each ligand, trans to one another. The crystal structure of the rhodium oxygen adduct with 1,3-bis(di-t-butyl-phosphinomethyl)benzene [RhO2{(Bu2PCH2)-Bu-t(C6H3)(CH2Bu2P)-Bu-t}] (5) was also investigated. In this species the O-2 is eta(2) coordinated to the Rh(l) center with asymmetric Rh-O bond lengths (2.087(7) and 1.998(8) angstrom). The O-O bond distance is short (1.337(11) angstrom) with v(o-o) of 990.5 cm(-1). DFT calculations on complex 5 yielded two eta(2)-O-2 structures that differed in energy by only 0.76 kcal/mol. The lower energy one (5a) had near C-2 symmetry, and had nearly equal Rh-O bond lengths, while the higher energy structure (5b) had near C-s symmetry and generally good agreement with the experimental structure. The calculated UV-Vis and IR spectra of complex 5 are in excellent agreement with experiment. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2012.10.006

文献信息

• DYE, PHOTOELECTRIC CONVERSION ELEMENT USING THE SAME, PHOTOELECTROCHEMICAL CELL, AND METHOD OF PRODUCING DYE
  申请人：Kobayashi Katsumi

  公开号：US20110213144A1

  公开（公告）日：2011-09-01

  A dye, having a structure represented by formula (1A): wherein A represents a group of atoms necessary for forming a ring together with the carbon-nitrogen bond; at least one of Y 1A and Y 2A represents an acidic group, in which when they each represent an acidic group, they may be the same as or different from each other, or when only one of them represents an acidic group, the other represents an electron-withdrawing group; D represents a group to give a dye; n represents an integer of 1 or greater; L represents a single bond or a divalent linking group; and Y 3A represents an acidic group.

  一种染料，其结构由式（1A）表示：其中A代表与碳-氮键一起形成环的原子团；Y1A和Y2A中至少一个代表酸性基团，当它们各自代表酸性基团时，它们可以相同也可以不同，或者当它们中只有一个代表酸性基团时，另一个代表电子吸引基团；D代表给染料的基团；n代表大于等于1的整数；L代表单键或二价连接基团；Y3A代表酸性基团。
• Less common modes of coordination in α,ω-bis(di-tert-butylphosphino)alkane and α,ω-bis(di-tert-butylphosphino) (poly)ether complexes of rhodium(I)
  作者：Klaas Timmer、D. Harry M. W. Thewissen、Jan W. Marsman

  DOI：10.1002/recl.19881070327

  日期：——

  α,ω-Bis(di-tert-butylphosphino)alkane and α,ω-bis(di-tert-butylphosphino) (poly)ether ligands are prepared in appreciable yields via reaction of the appropriate dihalide with two equivalents of Lip-t-Bu2. Reaction of [Rh(COD)(acetone)2][OTf] with the former ligands yields bridged complexes of the type [Rh(COD)(OTf)]2[μ-t-Bu2P(CH2)n,P-t-Bu2] (n = 5 and 8), containing coordinated triflate. With the ligand

  α，ω二（二-叔-butylphosphino）烷烃和α，ω -双（二-叔-butylphosphino）（聚）醚配体在可观的产量通过合适的二卤化物的反应制备具有唇形两个当量吨-卜2。[Rh（COD）（丙酮）2 ] [OTf]与先前的配体反应生成[Rh（COD）（OTf）] 2 [μ- t -Bu 2 P（CH 2）n，P -吨-Bu 2 ]（ñ = 5和8），含有协调三氟甲磺酸酯。与配体t -Bu 2 PCH 2 CH分离出2 OCH 2 CH 2 P- t -Bu 2单体配合物[Rh（COD）（P∩P）] [OTf]，其中二膦配体通过氧和一个磷原子配位。在配体t -Bu 2 P（CH 2 CH 2 O）2 CH 2 CH 2 P- t -Bu 2的情况下，桥联配合物[[Rh 2（COD）2（OTf）]（μ-P∩ P）] [OTf]形成，同时包含配位和不配位的三氟甲磺酸盐。在解决方案中，此复数重新排列为[[Rh（COD）]
• PROCESSES FOR PREPARING ANTIVIRAL COMPOUNDS
  申请人：Gilead Pharmasset LLC

  公开号：US20150361073A1

  公开（公告）日：2015-12-17

  The present disclosure provides processes for the preparation of a compound of formula: which is useful as an antiviral agent. The disclosure also provides compounds that are synthetic intermediates.

  本公开提供了制备一种化合物的方法，该化合物的化学式如下所示：该化合物可用作抗病毒药物。本公开还提供了合成中间体化合物。
• Formation of large chelate rings and cyclometallated products from diphosphines of type Bu^t₂P(CH₂)_nPBu^t₂(n= 5–8) and Ph₂P(CH₂)₅PPh₂with palladium and platinum chlorides: factors affecting the stability and conformation of large chelate rings
  作者：Najeeb A. Al-Salem、H. David Empsall、Richard Markham、Bernard L. Shaw、Brian Weeks

  DOI：10.1039/dt9790001972

  日期：——

  31P n.m.r. spectroscopy the large-chelate mixed compounds described in this and previous papers, containing PBut2 groups in ‘corner’ positions, are shown to be stable in solution relative to open-chain structures. The complexes trans-[Pd2Cl4Ph2P(CH2)5PPh2}2] and cis-[Pt2Cl4Ph2P(CH2)5PPh2}2] are described. The literature on large-chelate-ring compounds is surveyed. Factors affecting the stability and

  新的二膦卜吨2 P（CH 2）Ñ PBU吨2（Ñ = 5-7）中描述和先前已知的博士2 P（CH 2）5 PPH 2特征更加充分。的化合物中，卜吨2 P（CH 2）Ñ PBU吨2（Ñ = 5-8）与[反应的PdCl 2（NCPH）2 ]，得到的类型的结晶复合物[的PdCl 2 [卜吨2 P（CH 2）n PBu吨2 ]} X ]，其中X为= 2 Ñ = 5,7，或8个但未知为Ñ = 6同样对于Ñ = 5挥发性环金属化配合物[[图形省略]卜吨2）]的形成。与[氯铂酸2（NCPH） 2 ]或[氯铂酸2（NCBu吨） 2 ]，卜吨2 P（CH 2） 5 PBU吨2给出反式- [氯铂酸2 [卜吨2 P（CH 2） 5 PBU Ť2 ]} X ]（ X是未知的）和环金属化产物[[图形省略]卜吨2）]（X = Cl）的由一个非常相似物种污染，可能[[图形省略]卜吨2）]从该无法分离。络合物[氯铂酸2
• Syntheses and Reactivities of New PC_s_p3P Pincer Complexes of Nickel
  作者：Annie Castonguay、Christine Sui-Seng、Davit Zargarian、André L. Beauchamp

  DOI：10.1021/om050844x

  日期：2006.1.1

  toward olefins, but react with PhSiH3 to give (PhSiH)n. The cationic complex 4 is also inert toward most olefins, but its reaction with excess acrylonitrile results in displacement of coordinated acetonitrile to give [(But2P(CH2)2)2CH}Ni(N⋮CCHCH2)][BPh4], 5. Complexes 1−5 have been characterized by NMR spectroscopy and, in the case of 1, 4, and 5, by X-ray crystallography.

  将Ni（II）卤化物与1当量的Bu t 2 P（CH 2）5 PBu t 2加热，得到PC sp3 P钳形配合物[（Bu t 2 P（CH 2）2）2 CH} NiX]（X = Cl，1a； Br，1b； I，1c）。这些化合物分别与MeMgCl或n- BuLi反应生成甲基Bu t 2 P（CH 2）2）2 CH} NiMe 2或氢化物Bu t 2P（CH 2）2）2 CH} NiH，3，同时与NaBPh 4在苯/乙腈的混合物中反应，得到阳离子物质[（Bu t 2 P（CH 2）2）2 CH} Ni（N⋮ CCH 3）] [BPh 4 ]，4。配合物1 - 3是惰性朝向烯烃，但随着反应PhSiH 3，得到（PhSiH）ñ。阳离子络合物4对大多数烯烃也是惰性的，但它与过量的丙烯腈反应导致取代的乙腈生成[（Bu t 2 P（CH 2）2）2 CH} Ni（N⋮CCH CH 2）]