1,4-二(二异丙基膦)丁烷 | 80499-19-0

• 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: 1,4-二(二异丙基膦)丁烷
• 中文别名: 1,4-双(二异丙基膦)丁烷
• 英文名称: 1,4-bis(diisopropyl-phosphino)butane
• 英文别名: 1,4-bis(diisopropylphosphino)butane；bis(diisopropylphosphino)butane；dippb；1,4-bis(di-iso-propylphosphino) butane；1,4-bis(di-iso-propylphosphino)-butane；1,4-bis(diisopropylphosphine)butane；1,4-Bis(DI-I-propylphosphino)butane；4-di(propan-2-yl)phosphanylbutyl-di(propan-2-yl)phosphane
• CAS: 80499-19-0
• 化学式: C₁₆H₃₆P₂
• 分子量: 290.409
• InChiKey: HRZSNESBRSONNG-UHFFFAOYSA-N

物化性质

• 稳定性/保质期：
  遵照规定使用和储存，则不会发生分解。

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  18
• 可旋转键数：
  9
• 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：
  R10,R36/37/38
• 危险品运输编号：
  UN 1993
• 安全说明：
  S16,S26,S36/37/39
• 储存条件：
  存放于阴凉干燥处。

SDS

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Section 1: Product Identification
Chemical Name: 1,4-Bis(di-i-propylphosphino)butane, min. 98%
CAS Registry Number: 80499-19-0
Formula: C16H36P2
EINECS Number: none
Chemical Family: organophosphine compound
Synonym: 1,4-Bis-diisopropylphosphanyl-butane

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Section 2: Composition and Information on Ingredients
Ingredient CAS Number Percent ACGIH (TWA) OSHA (PEL)
Title compound 80499-19-0 100%

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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 mild to moderate irritation to the eyes.
Skin Contact: Causes mild to moderate irritation of the skin.
Inhalation: Inhalation causes irritation to the nose, mucous membranes and respiratory tract.
Ingestion: No specific information is available on the physiological effects of ingestion. May be harmful if swallowed.
Acute Health Affects: Irritating to skin, eyes and respiratory tract. May be harmful if swallowed.
Chronic Health Affects: No information available 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: none
Explosion Limits: none
Extinguishing Medium: carbon dioxide, dry powder or foam.
Fire fighters should be equipped with a NIOSH approved positive pressure self-contained breathing apparatus
Special Fire Fighting Procedures:
and full protective clothing.
Hazardous Combustion and If involved in a fire this material may emit toxic organic fumes and vapors of phosphorus pentoxide.
Decomposion Products:
Unusual Fire or Explosion Hazards: Flammable. No unusual fire or explosion hazard.

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

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SECTION 7: Handling and Storage
'Store in a cool, dry, well-ventilated area away from heat and direct sunlight. Prolonged exposure to air
Handling and Storage:
may result in degradation of the product. Handle under an inert gas of nitrogen or argon.

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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 pale yellow liquid
Molecular Weight: 290.41
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: air sensitive
Hazardous Polymerization: no hazardous polymerization
Conditions to Avoid: Keep away from heat and ignition sources including open flame and electrostatic discharge.
Incompatibility: strong oxidizing agents
Decomposition Products: carbon dioxide, carbon monoxide, organic fumes and phosphorus oxides.

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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 federal, state, and local 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): III
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): III
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：

  1,4-二(二异丙基膦)丁烷 在 Na 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 生成
  参考文献：
  名称：

  Wurst, K.; Straehle, J., Zeitschrift fur Anorganische und Allgemeine Chemie

  摘要：

  DOI：
• 作为产物：
  描述：

  lithium diisopropylphosphide 、 1,4-二氯丁烷 以 乙醚 、 正己烷 为溶剂， 以96%的产率得到1,4-二(二异丙基膦)丁烷
  参考文献：
  名称：

  铑（I）-全烷基二膦配合物催化酮催化加氢的机理

  摘要：

  使用阳离子铑（I）配合物[Rh（（i-Pr）2 P（CH 2）4 P（i-Pr）2）（NBD）] ClO 4（NBD =降冰片二烯）和[ Rh（CyDIOP）（NBD）] ClO 4（CyDIOP = 2,3- O-异亚丙基-2,3-二羟基-1,4-双（二环己基膦基）丁烷）和中性配合物，“ Rh-（CyDIOP）Cl”被研究了。配位较差的简单酮底物的阳离子络合物催化氢化反应遵循速率方程r 0 = k obs [Rh] [酮] 0 [H 2 ] 0并显示出反应速率异常负的温度依赖性。螯合底物PhCOCONHCH 2 Ph的氢化反应遵循速率方程r 0 = k obs [Rh] [H 2 ]，活化参数为E a 5.51 kcal mol -1，ΔH ‡ 308 4.90 kcal mol -1，ΔS ‡ 308 -32.0 eu（[Rh（（i-Pr）2 P（CH 2）4 P（i-Pr）2）（NBD）]

  DOI：

  10.1016/0022-328x(85)87008-x

文献信息

• Single component cationic palladium proinitiators for the latent polymerization of cycloolefins
  申请人：Bell Andrew

  公开号：US20050187398A1

  公开（公告）日：2005-08-25

  Palladium compound compositions are provided in accordance with Formulae [((R) 3 E) a Pd(Q)(LB) b ] p [WCA] r , where ((R) 3 E) is a Group 15 electron donor ligand, Q is an anionic ligand, LB is a Lewis base, WCA is a weakly coordinating anion, a is 1, 2 or 3, b is 0, 1 or 2, the sum of a and b is 1, 2 or 3 and each of p and r is an integer such that the molecular charge is zero, or [(E(R) 3 )(E(R) 2 R*)Pd(LB)] p [WCA] r where E(R) 2 R* represents a Group 15 neutral electron donor ligand and where R* is an anionic hydrocarbyl containing moiety, bonded to the Pd and having a β hydrogen with respect to the Pd center. Such compound composition exhibits latent polymerization activity in the presence of polycyclic olefins.

  钯化合物组成按照以下公式提供：[((R)3E)aPd(Q)(LB)b]p[WCA]r，其中((R)3E)是第15族电子供体配体，Q是阴离子配体，LB是路易斯碱，WCA是弱配位阴离子，a为1、2或3，b为0、1或2，a和b的总和为1、2或3，p和r各自为整数，使得分子电荷为零，或[(E(R)3)(E(R)2R*)Pd(LB)]p[WCA]r，其中E(R)2R*代表第15族中性电子供体配体，R*是与Pd键合的含有阴离子烃基的部分，并且相对于Pd中心具有β氢。这种化合物组成在多环烯烃存在时表现出潜在的聚合活性。
• Ligands for metals and improved metal-catalyzed processes based thereon
  申请人：——

  公开号：US20040171833A1

  公开（公告）日：2004-09-02

  One aspect of the present invention relates to ligands for transition metals. A second aspect of the present invention relates to the use of catalysts comprising these ligands in transition metal-catalyzed carbon-heteroatom and carbon-carbon bond-forming reactions. The subject methods provide improvements in many features of the transition metal-catalyzed reactions, including the range of suitable substrates, reaction conditions, and efficiency.

  本发明的一个方面涉及过渡金属配体。本发明的第二个方面涉及在过渡金属催化的碳-杂原子和碳-碳键形成反应中使用包含这些配体的催化剂。所述方法提供了过渡金属催化反应的许多特征的改进，包括适用底物的范围、反应条件和效率。
• Process for the arylation of olefins
  申请人：——

  公开号：US20030105353A1

  公开（公告）日：2003-06-05

  The present invention relates to a process for the arylation of olefins by reaction of haloaromatics or arylsulfonates with olefins in the presence of a palladium catalyst, a bulky nitrogen base and a salt.

  本发明涉及一种通过在存在钯催化剂、大体积氮碱和盐的条件下，通过卤代芳烃或芳基磺酸盐与烯烃反应进行芳基化的方法。
• Process for preparing 2,4,5-trisubstituted imidazoles from N-acylated alpha-amino nitriles
  申请人：——

  公开号：US20040267026A1

  公开（公告）日：2004-12-30

  The invention is a process for preparing an imidazole of formula I 1 which comprises treating an N-acylated &agr;-amino nitrile with a phosphine and a carbon tetrahalide of the formula CX 4 , wherein X is Cl or Br, to form a haloimidazole of the formula 2 wherein R 1 is selected from the group consisting of hydrogen, C 1-6 alkyl, —CH 2 -aryl, and aryl; and R 2 is selected from the group consisting of hydrogen, C 1-6 alkyl, —CH 2 —O-aryl and aryl; and X is selected from the group consisting of Cl and Br.

  这项发明是一种制备式I1咪唑的过程，包括将N-酰化的α-氨基腈与膦和化学式CX4的碳四卤化物（其中X为Cl或Br）反应，形成式2的卤代咪唑，其中R1选自氢、C1-6烷基、—CH2-芳基和芳基组成的群；R2选自氢、C1-6烷基、—CH2—O-芳基和芳基组成的群；X选自Cl和Br组成的群。
• [EN] NOVEL AMINATION PROCESS<br/>[FR] NOUVEAU PROCEDE D'AMINATION
  申请人：ASTRAZENECA AB

  公开号：WO2005090318A1

  公开（公告）日：2005-09-29

  Provided herein are novel processes for the preparation of intermediates that may be useful in the preparation of 5-Ht1b receptor antagonist useful in the treatment of depression, anxiety and other related diseases. The present processes may offer improved yields, purity, ease of preparation and isolation of intermediates and final product and more industrially useful reaction conditions and workability.

  本文提供了一种制备中间体的新工艺，这些中间体可能在制备用于治疗抑郁症、焦虑和其他相关疾病的5-Ht1b受体拮抗剂中有用。目前的工艺可能提供更高的产率、纯度、易于制备和分离中间体和最终产品，以及更具工业应用的反应条件和可操作性。