2-双环己基膦-2',6'-二甲氧基联苯 | 657408-07-6

• 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: 2-双环己基膦-2',6'-二甲氧基联苯
• 中文别名: 二环己基(2',6'-二甲氧基-[1,1'-联苯]-2-基)膦；2-双环己基膦-2’,6’-二甲氧基-1,1’-二联苯；2-二环己基膦-2',6'-二甲氧基联苯；S-Phos；1,2-双环己基膦-2',6'-二甲氧基联苯；2-二环己基膦-2,6-二甲氧基联苯
• 英文名称: dicyclohexyl-(2',6'-dimethoxybiphenyl-2-yl)-phosphane
• 英文别名: SPhos；2-dicyclohexylphosphino-2',6'-dimethoxybiphenyl；2-dicyclohexylphosphino-2′,6′-dimethoxybiphenyl；2-dicyclohexylphosphino-2’,6’-dimethoxybiphenyl；dicyclohexyl(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)phosphine；dicyclohexyl(2′,6′-dimethoxy-[1,1′-biphenyl]-2-yl)phosphine；dicyclohexyl(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)phosphane；2-dicyclohexylphosphino-2',6'-dimethoxy-1,1'-biphenyl；dicyclohexyl(2',6'-dimethoxybiphenyl-2-yl)phosphine；2-dicyclohexylphosphine-2',6'-dimethoxybiphenyl；dicyclohexyl(2’,6’-dimethoxy-[1,1’-biphenyl]-2-yl)phosphine；dicyclohexyl(2′,6′-dimethoxybiphenyl-2-yl)phosphine；dicyclohexyl-[2-(2,6-dimethoxyphenyl)phenyl]phosphane；2-biscyclohexylphosphine-2',6'-dimethoxybiphenyl；2-bicyclohexylphosphine-2',6'-dimethoxybiphenyl；dicyclohexyl({2’,6’-dimethoxy-[1,1‘-biphenyl]-2-yl})phosphane；dicyclohexyl (2’,6’-dimethoxy[1,1’-biphenyl]-2-yl)phosphane；2-dicyclohexylphosphino-2’,6’-dimethoxy-1,1‘-biphenyl；2-dicyclohexylphosphino-2′,6′-dimethoxy-1,1′-biphenyl；dicyclohexyl(2’,6’-dimethoxybiphenyl-2-yl)phosphine；dicyclohexyl(2’,6’-dimethoxy-[1,1‘-biphenyl]-2-yl)phosphine；dicyclol(2’,6’-dimethoxy[1,1’-biphenyl]-2-yl)phosphane；2-bicyclohexylphosphino-2’,6’-dimethoxy-1,1’-biphenyl；2-dicyclohexylphosphino-2’,6’-dimethoxy-1,1’-biphenyl；dicyclohexyl(2’,6’-dimethoxy-[1,1-biphenyl]-2-yl)phosphine；2-dicyclohexylphosphino-2’,6’-dimethoxy-1,1'-biphenyl；dicyclohexyl(2',6'-dimethoxy-[1,1’-biphenyl]-2-yl)phosphane；dicyclohexyl(2’,6’-dimethoxybiphenyl-2-yl)phosphane；2-dicyclohexylphosphino-2′,6′-diisopropoxybiphenyl；2-dicyclichexhylphosphino-2′,6′-dimethoxybiphenyl；2-(2’,6’-dimethoxybiphenyl)dicyclohexylphosphine；2-(dicyclohexylphoshino)-2′,6′-dimethoxybiphenyl；2-biscyclohexylphosphino-2′,6′-dimethoxybiphenyl；2-bicyclohexylphosphine-2′,6′-dimethoxybiphenyl；2-dicyclohexyl(2',6'-dimethoxy-{1,1'-biphenyl}-2-yl)phosphine；2-dicyclohexylphosphine-2’,6’-dimethoxybiphenyl；2-dicyclohexylphosphine-2′,6′-dimethoxybiphenyl；dicyclohexylphosphino-2’,6’-dimethoxybiphenyl；2-dicyclohexylphosphino-2',6’-dimethoxybiphenyl；2-dicyclohexylphosphino-2',6′-dimethoxybiphenyl；2-dicyclohexylphosphine-2',6'-dimethoxy-1,1'-biphenyl；dicyclohexyl-[2-(2,6-dimethoxyphenyl)phenyl]phosphine；dicyclohexyl(2',6'-dimethoxy-2-biphenylyl)phosphine；dicyclohexylphosphino-2',6'-dimethoxy-1,1'-biphenyl；2-(2',6'-dimethoxybiphenyl)dicyclohexylphosphine；2-biscyclohexylphosphino-2',6'-dimethoxybiphenyl；2-dichlorohexylphosphino-2',6'-dimethoxybiphenyl；2-dicyclohexylphosphanyl-2',6'-dimethoxybiphenyl；2-dicyclohexylphosphorus-2',6'-dimethoxybiphenyl；2-bicyclohexylphosphino-2',6'-dimethoxybiphenyl；2-dicyclohexylphoshpino-2',6'-dimethoxybiphenyl；2-dicyclohexylphosphino-2',6'-dimethoxybipheny；2-dicyclohexylphosphino-2',6'-dimethoxyphenyl；dicyclohexylphosphino-2',6'-dimethoxybiphenyl；Ruphos；XPhos；SPos
• CAS: 657408-07-6
• 化学式: C₂₆H₃₅O₂P
• mdl: MFCD05861611
• 分子量: 410.536
• InChiKey: VNFWTIYUKDMAOP-UHFFFAOYSA-N

物化性质

• 熔点：
  164-166°C
• 沸点：
  513.3±40.0 °C(Predicted)
• 溶解度：
  溶于氯仿
• 稳定性/保质期：

  按规定使用和贮存的不会分解，应避免接触空气。

计算性质

• 辛醇/水分配系数(LogP)：
  6.7
• 重原子数：
  29
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.538
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• TSCA：
  No
• 危险品标志：
  Xn
• 安全说明：
  S24/25,S36,S37
• 危险类别码：
  R40
• WGK Germany：
  3
• 危险品运输编号：
  NONH for all modes of transport
• 海关编码：
  2922299090
• 危险标志：
  GHS08
• 危险性描述：
  H351
• 危险性防范说明：
  P281
• 储存条件：
  冷藏保存。

SDS

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SECTION 1: Identification of the substance/mixture and of the company/undertaking
Product identifiers
Product name : SPhos
REACH No. : A registration number is not available for this substance as the substance
or its uses are exempted from registration, the annual tonnage does not
require a registration or the registration is envisaged for a later
registration deadline.
CAS-No. : 657408-07-6
Relevant identified uses of the substance or mixture and uses advised against
Identified uses : Laboratory chemicals, Manufacture of substances

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SECTION 2: Hazards identification
Classification of the substance or mixture
Not a hazardous substance or mixture according to Regulation (EC) No 1272/2008
This substance is not classified as dangerous according to Directive 67/548/EEC.
Label elements
Other hazards - none

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SECTION 3: Composition/information on ingredients
Substances
Synonyms : SPhos
Formula : C26H35O2P
Molecular Weight : 410,53 g/mol
CAS-No. : 657408-07-6
No components need to be disclosed according to the applicable regulations.

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SECTION 4: First aid measures
Description of 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.
Most important symptoms and effects, both acute and delayed
The most important known symptoms and effects are described in the labelling (see section 2.2) and/or in
section 11
Indication of any immediate medical attention and special treatment needed
no data available

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SECTION 5: Firefighting measures
Extinguishing media
Suitable extinguishing media
Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
Special hazards arising from the substance or mixture
Carbon oxides, Oxides of phosphorus
Advice for firefighters
Wear self contained breathing apparatus for fire fighting if necessary.
Further information
no data available

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SECTION 6: Accidental release measures
Personal precautions, protective equipment and emergency procedures
Avoid dust formation. Avoid breathing vapours, mist or gas.
For personal protection see section 8.
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.
Reference to other sections
For disposal see section 13.

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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.
For precautions see section 2.2.
Conditions for safe storage, including any incompatibilities
Store in cool place. Keep container tightly closed in a dry and well-ventilated place.
Air sensitive. Store under inert gas.
Specific end use(s)
Apart from the uses mentioned in section 1.2 no other specific uses are stipulated

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SECTION 8: Exposure controls/personal protection
Control parameters
Components with workplace control parameters
Exposure controls
Appropriate engineering controls
General industrial hygiene practice.
Personal protective equipment
Eye/face protection
Use equipment for eye protection tested and approved under appropriate government standards
such as NIOSH (US) or EN 166(EU).
Skin 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.
Full contact
Material: Nitrile rubber
Minimum layer thickness: 0,11 mm
Break through time: 480 min
Material tested:Dermatril® (KCL 740 / Z677272, Size M)
Splash contact
Material: Nitrile rubber
Minimum layer thickness: 0,11 mm
Break through time: 480 min
Material tested:Dermatril® (KCL 740 / Z677272, Size M)
data source: KCL GmbH, D-36124 Eichenzell, phone [phone], test method: EN374
If used in solution, or mixed with other substances, and under conditions which differ from EN 374,
contact the supplier of the CE approved gloves. This recommendation is advisory only and must
be evaluated by an industrial hygienist and safety officer familiar with the specific situation of
anticipated use by our customers. It should not be construed as offering an approval for any
specific use scenario.
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.
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).
Control of environmental exposure
Do not let product enter drains.

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SECTION 9: Physical and chemical properties
Information on basic physical and chemical properties
a) Appearance Form: solid
b) Odour no data available
c) Odour Threshold no data available
d) pH no data available
e) Melting point/freezing Melting point/range: 164 - 166 °C
point
f) Initial boiling point and no data available
boiling range
g) Flash point no data available
h) Evapouration rate no data available
i) Flammability (solid, gas) no data available
j) Upper/lower no data available
flammability or
explosive limits
k) Vapour pressure no data available
l) Vapour density no data available
m) Relative density no data available
n) Water solubility no data available
o) Partition coefficient: n- no data available
octanol/water
p) Auto-ignition no data available
temperature
q) Decomposition no data available
temperature
r) Viscosity no data available
s) Explosive properties no data available
t) Oxidizing properties no data available
Other safety information
no data available

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SECTION 10: Stability and reactivity
Reactivity
no data available
Chemical stability
Stable under recommended storage conditions.
Possibility of hazardous reactions
no data available
Conditions to avoid
no data available
Incompatible materials
Strong oxidizing agents
Hazardous decomposition products
Other decomposition products - no data available
In the event of fire: see section 5

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SECTION 11: Toxicological information
Information on toxicological effects
Acute toxicity
no data available
Skin corrosion/irritation
no data available
Serious eye damage/eye irritation
no data available
Respiratory or skin sensitisation
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
Additional Information
RTECS: Not 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
Results of PBT and vPvB assessment
PBT/vPvB assessment not available as chemical safety assessment not required/not conducted
Other adverse effects
no data available

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SECTION 13: Disposal considerations
Waste treatment methods
Product
Offer surplus and non-recyclable solutions to a licensed disposal company.
Contaminated packaging
Dispose of as unused product.

---

SECTION 14: Transport information
UN number
ADR/RID: - IMDG: - IATA: -
UN proper shipping name
ADR/RID: Not dangerous goods
IMDG: Not dangerous goods
IATA: Not dangerous goods
Transport hazard class(es)
ADR/RID: - IMDG: - IATA: -
Packaging group
ADR/RID: - IMDG: - IATA: -
Environmental hazards
ADR/RID: no IMDG Marine pollutant: no IATA: no
Special precautions for user
no data available

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SECTION 15: Regulatory information
This safety datasheet complies with the requirements of Regulation (EC) No. 1907/2006.
Safety, health and environmental regulations/legislation specific for the substance or mixture
no data available
Chemical Safety Assessment
For this product a chemical safety assessment was not carried out

---

SECTION 16: Other information
Further information
Copyright 2014 Co. LLC. License granted to make unlimited paper copies for internal use
only.
The above information is believed to be correct but does not purport to be all inclusive and shall be
used only as a guide. The information in this document is based on the present state of our knowledge
and is applicable to the product with regard to appropriate safety precautions. It does not represent any
guarantee of the properties of the product. Corporation and its Affiliates shall not be held
liable for any damage resulting from handling or from contact with the above product. See
and/or the reverse side of invoice or packing slip for additional terms and conditions of sale.

制备方法与用途

化学性质：白色晶体

用途：

• 作为配体，用于Buchwald偶联反应、Suzuki偶联反应以及[4+2]环加成反应中。
• 可用作溶液聚合的溶剂，用于合成戊二烯、戊二醇、乙酰丙醇及酮类化合物和2-甲基四氢呋喃。
• 在医药工业中，可用于合成维生素B1、磷酸氯喹和磷酸伯氨喹等。

此外，它还可作为医药合成中的中间体。

反应信息

• 作为反应物：
  描述：

  2-双环己基膦-2',6'-二甲氧基联苯 以 氘代苯 、 氯苯 为溶剂， 生成 (2-dicyclohexylphosphino-2',6'-dimethoxy-1,1'-biphenyl)Pd(Ph)(Cl)(NH2C6H5)
  参考文献：
  名称：

  电子对使用联芳基膦配体的钯催化的CN键形成反应的选择性的电子影响：胺结合和酸度的竞争作用。

  摘要：

  DOI：

  10.1002/anie.200702122
• 作为产物：
  描述：

  2-溴氯苯 在 正丁基锂 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 反应 5.75h， 生成 2-双环己基膦-2',6'-二甲氧基联苯
  参考文献：
  名称：

  铃木-宫浦偶联过程的催化剂：配体结构影响的范围和研究

  摘要：

  芳基和杂芳基卤化物与芳基-、杂芳基-和乙烯基硼酸的 Suzuki-Miyaura 偶联反应使用 2-(2',6'-二甲氧基联苯) 二环己基膦 SPhos (1) 以非常好的收率进行。这种配体为这些过程提供了前所未有的活性，允许在低催化剂水平下进行反应，制备极受阻的联芳基化合物，并且通常在室温下进行芳基氯的反应。此外，还介绍了各种 1.Pd 配合物的结构研究以及有助于阐明 1 对 Suzuki-Miyaura 偶联过程的功效的计算数据。此外，与 1 和 2-(2',4',6' -三异丙基联苯）二苯基膦（2）在确定配体体积和给电子能力在源自此类配体的催化剂的高活性中的相对重要性方面提供了信息。此外，当芳基溴变得太受阻时，一个有趣的 CH 键官能化-交叉偶联序列会介入以提供高产率的产物。

  DOI：

  10.1021/ja042491j
• 作为试剂：
  描述：

  2-氯-4,6-二苯基-1,3,5-三嗪 在 2-双环己基膦-2',6'-二甲氧基联苯 、 tris-(dibenzylideneacetone)dipalladium(0) 、 四(三苯基膦)钯 、 四丁基氯化铵 、 potassium carbonate 、 caesium carbonate 作用下， 以 1,4-二氧六环 、 乙醇 、 水 、 甲苯 为溶剂， 反应 6.0h， 生成
  参考文献：
  名称：

  一种具有电子传输特性的材料及其应用

  摘要：

  本发明涉及一种具有电子传输特性的材料及其应用，属于有机光电功能材料技术领域。具有电子传输特性的材料，其结构通式如I所示。本发明的具有电子传输特性的材料，是通过在与三嗪相连的苯环上引入具有一定刚性的芴、螺芴及其衍生物等基团获得的，其是具有宽带隙、Tg温度高、成膜性好的电子传输材料。应用本发明的具有电子传输特性的材料制备的发光器件在效率、驱动电压、寿命等方面显现出优良的性能。#imgabs0#

  公开号：

  CN117756784A

文献信息

• QUINAZOLINE-2,4-DIONE DERIVATIVES
  申请人：Hubschwerlen Christian

  公开号：US20140171425A1

  公开（公告）日：2014-06-19

  The invention relates to antibacterial compounds of formula (I), wherein R 1 is H, halogen, (C 1 -C 3 )alkyl or (C 1 -C 3 )alkoxy; R 2 is H, halogen, (C 1 -C 3 )alkyl, (C 1 -C 3 )alkoxy or pyrrolidin-1-yl; R 3 is H, halogen, (C 1 -C 3 )alkyl, (C 1 -C 3 )alkoxy, vinyl or 2-methoxycarbonyvinyl or R 2 and R 3 together with the two carbon atoms which bear them form a phenyl ring; R 4 is H, halogen, (C 1 -C 3 )alkyl or (C 1 -C 3 )alkoxy; and R 5 is H, (C 1 -C 3 )alkyl or cyclopropyl,