2-(二-叔丁基磷)-3-甲氧基-6-甲基-2'4'6'-三异丙基-联苯 | 1262046-34-3

• 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-(二-叔丁基磷)-3-甲氧基-6-甲基-2'4'6'-三异丙基-联苯
• 中文别名: 2-二-叔-叔丁基磷-3-甲氧基-6-甲基-2'-4'-6'-三异丙基联苯；2-二叔丁基膦-3-甲氧基-6-甲基-2',4',6'-三异丙基-1,1'-联苯
• 英文名称: Rockphos
• 英文别名: 2-di(tert-butyl)phosphino-2′,4′,6′-triisopropyl-3-methoxy-6-methylbiphenyl；ditert-butyl-[6-methoxy-3-methyl-2-(2,4,6-triisopropylphenyl)phenyl]phosphane；2-(di-t-butylphosphino)-3-methoxy-6-methyl-2',4',6'-tri-i-propyl-1,1'-biphenyl；di-tert-butyl(2',4',6'-triisopropyl-3-methoxy-6-methyl-[1,1'-biphenyl]-2-yl)phosphine；2-di(tert-butyl)phosphino-2’,4’,6’-triisopropyl-3-methoxy-6-methylbiphenyl；2-(di-tert-butylphosphino)-3-methoxy-6-methyl-2',4',6'-tri-isopropyl-1,1'-biphenyl；di-tert-butyl(2',4',6'-triisopropyl-3-methoxy-6-methylbiphenyl-2-yl)phosphine；2-di(tert-butyl)phosphino-2',4',6'-triisopropyl-3-methoxy-6-methylbiphenyl；ditert-butyl-[6-methoxy-3-methyl-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane
• CAS: 1262046-34-3
• 化学式: C₃₁H₄₉OP
• 分子量: 468.703
• InChiKey: CVLLAKCGAFNZHJ-UHFFFAOYSA-N

物化性质

• 熔点：
  129-130°C
• 沸点：
  526.6±50.0 °C(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  8.8
• 重原子数：
  33
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• WGK Germany：
  3
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H315,H319,H335

SDS

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Section 1: Product Identification
Chemical Name: 2-(Di-t-butylphosphino)-3-methoxy-6-methyl-2'-4'-6'-tri-i-propyl-1,1'-biphenyl, min. 98% RockPhos
CAS Registry Number: 1262046-34-3
Formula: C31H49OP
EINECS Number: none
Chemical Family: organophosphine ligand
Synonym: RockPhos

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Section 2: Composition and Information on Ingredients
Ingredient CAS Number Percent ACGIH (TWA) OSHA (PEL)
Title compound 1262046-34-3 100% 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 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: not applicable
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 unusual fire or explosion hazards.

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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
Handling and Storage: Store in a tightly sealed container. Keep in a cool, dry, well-ventillated area.

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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: white xtl.
Molecular Weight: 468.69
Melting Point: 129-130°
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 and moisture stable
Hazardous Polymerization: no hazardous polymerization
Conditions to Avoid: none
Incompatibility: strong oxidizing agents
Decomposition Products: carbon monoxide, carbon dioxide, phorsphorous 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): 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): Not reportable under SARA 313
Second Ingredient: none

---

SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  2-(二-叔丁基磷)-3-甲氧基-6-甲基-2'4'6'-三异丙基-联苯 以 氘代甲苯 、 正戊烷 为溶剂， 反应 48.0h， 生成
  参考文献：
  名称：

  Structure and reactivity of [(L·Pd) n ·(1,5-cyclooctadiene)] ( n = 1–2) complexes bearing biaryl phosphine ligands

  摘要：

  The structure of the stable Pd(0) precatalyst [(1,5-cyclooctadiene)(L.Pd)(2)] = AdBrettPhos) for the Pd-catalyzed fluorination of aryl triflates has been further studied by solid state NMR and X-ray cystrallography of the analogous N-phenylmaleimide complex. The reactivity of this complex with CDCl3 to form a dearomatized complex is also presented. In addition, studies suggest that related bulky biaryl phosphine ligands form similar complexes, although the smaller ligand BrettPhos forms a monomeric [(1,5-cyclooctadiene)(L.Pd)] species instead. (C) 2014 Elsevier By. All rights reserved.

  DOI：

  10.1016/j.ica.2014.06.008
• 作为产物：
  描述：

  magnesium,1,3,5-tri(propan-2-yl)benzene-6-ide,bromide 在 正丁基锂 、 叔丁基锂 作用下， 以 四氢呋喃 、 正己烷 、 甲苯 、 正戊烷 为溶剂， 反应 25.17h， 生成 2-(二-叔丁基磷)-3-甲氧基-6-甲基-2'4'6'-三异丙基-联苯
  参考文献：
  名称：

  单膦配体允许钯催化与仲醇和伯醇形成分子间 C2O 键

  摘要：

  形成键：使用配体1开发了一种高效、通用的钯催化剂，用于仲醇和伯醇与一系列芳基卤化物的C  O 键形成反应。杂芳基卤化物和富电子芳基卤化物首次可以与仲醇偶联。只需一个配体即可实现多种底物组合，因此无需调查多个配体。

  DOI：

  10.1002/anie.201104361
• 作为试剂：
  描述：

  8-chloro-2,5-dimethylbenzo[c][1,7]naphthyridin-6(5H)-one 、 4-甲氧基苄醇 在 bis(η3-allyl-μ-chloropalladium(II)) 、 2-(二-叔丁基磷)-3-甲氧基-6-甲基-2'4'6'-三异丙基-联苯 、 caesium carbonate 作用下， 以 1,4-二氧六环 为溶剂， 以57%的产率得到8-((4-methoxybenzyl)oxy)-2,5-dimethylbenzo[c][1,7]naphthyridin-6(5H)-one
  参考文献：
  名称：

  FUSED PYRIDINES AS KINASE INHIBITORS

  摘要：

  本公开涉及一般可抑制AAK1（适配器相关激酶1）的化合物，包括这些化合物的组合物，以及抑制AAK1的方法。

  公开号：

  US20180141956A1

文献信息

• [EN] ARYL ETHER-BASE KINASE INHIBITORS<br/>[FR] INHIBITEURS DE KINASES DE TYPE ARYLÉTHER-BASE
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2015038112A1

  公开（公告）日：2015-03-19

  The present disclosure is generally directed to compounds which can inhibit AAK1 (adaptor associated kinase 1), compositions comprising such compounds, and methods for inhibiting AAK1.

  本公开涉及一般可抑制AAK1（适配器相关激酶1）的化合物，包括这些化合物的组合物，以及抑制AAK1的方法。
• [EN] 2,4,5-TRISUBSTITUTED 1,2,4-TRIAZOLONES USEFUL AS INHIBITORS OF DHODH<br/>[FR] 1,2,4-TRIAZOLONES TRISUBSTITUÉES EN POSITION 2, 4 ET 5, UTILES EN TANT QU'INHIBITEURS DE DHODH
  申请人：BAYER AG

  公开号：WO2018077923A1

  公开（公告）日：2018-05-03

  The present invention provides triazolone compounds compounds of general formula (I) : in which R1, R2, R3, R4 and R5 are as defined herein, methods of preparing said compounds, intermediate compounds useful for preparing said compounds, pharmaceutical compositions and combinations comprising said compounds and the use of said compounds for manufacturing pharmaceutical compositions for the treatment or prophylaxis of diseases, in particular of hyperproliferative disorders, as a sole agent or in combination with other active ingredients.

  本发明提供了一般式(I)的三唑酮化合物，其中R1、R2、R3、R4和R5如本文所定义，制备所述化合物的方法，用于制备所述化合物的有用中间体化合物，包括所述化合物的药物组合物和组合物，以及利用所述化合物制造用于治疗或预防疾病的药物组合物，特别是治疗过度增殖性疾病的药物组合物，作为唯一药剂或与其他活性成分结合使用。
• Aryl Ether-Base Kinase Inhibitors
  申请人：BRISTOL-MYERS SQUIBB COMPANY

  公开号：US20130237555A1

  公开（公告）日：2013-09-12

  The present disclosure is generally directed to compounds which can inhibit AAK1 (adaptor associated kinase 1), compositions comprising such compounds, and methods for inhibiting AAK1.

  本公开涉及一般可抑制AAK1（适配器相关激酶1）的化合物，包括这些化合物的组合物，以及抑制AAK1的方法。
• [EN] DIHYDROPYRIDAZINONES SUBSTITUTED WITH PHENYLUREAS<br/>[FR] DIHYDROPYRIDAZINONES SUBSTITUÉES PAR DES PHÉNYLURÉES
  申请人：BAYER PHARMA AG

  公开号：WO2018086703A1

  公开（公告）日：2018-05-17

  Compounds of formula (I) which are nicotinamide phosphoribosyltransferase (NAMPT) inhibitors and their use for the treatment of hyperproloferative diseases and/or disorders responsive to induction of cell death.

  式（I）的化合物是烟酰胺磷酸核糖转移酶（NAMPT）抑制剂，可用于治疗对诱导细胞死亡敏感的增生性疾病和/或紊乱。
• [EN] INDAZOLOPYRIMIDINONES AS FIBRINOLYSIS INHIBITORS<br/>[FR] INDAZOLOPYRIMIDINONES COMME INHIBITEURS DE LA FIBRINOLYSE
  申请人：BAYER PHARMA AG

  公开号：WO2016173948A1

  公开（公告）日：2016-11-03

  The present application relates to novel substituted indazolopyrimidinones, to processes for their preparation, the compounds for use alone or in combinations in a method for the treatment and/or prophylaxis of diseases, in particular for the treatment and/or prophylaxis of acute and recurrent bleeding in patients with or without underlying hereditary or acquired hemostatic disorders, wherein the bleeding is associated with a disease or medical intervention selected from the group consisting of heavy menstrual bleeding, postpartum hemorrhage, hemorrhagic shock, trauma, surgery, transplantation, stroke, liver diseases, hereditary angioedema, nosebleed, and synovitis and cartilage damage following hemarthrosis.

  本申请涉及新型取代吲唑吡咯嘧啶酮，其制备方法，以及用于治疗和/或预防疾病的化合物，特别是用于治疗和/或预防患有或不患有基础遗传或获得性止血障碍的患者急性和复发性出血的方法，其中出血与从重经期出血、产后出血、出血性休克、创伤、手术、移植、中风、肝病、遗传性血管性水肿、鼻血、以及血液积聚后的滑膜炎和软骨损伤等一组疾病或医疗干预有关。