3-(二叔丁基磷基)丙烷-1-磺酸 | 1055888-89-5

• 物质功能分类: 化学试剂 - 有机试剂
• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机磺酸及其衍生物
• 中文名称: 3-(二叔丁基磷基)丙烷-1-磺酸
• 中文别名: 3-(二叔丁基膦)丙烷-1-磺酸；3-[二叔丁基膦基]-1-丙烷磺酸
• 英文名称: 3-(di-tert-butylphosphino)propane-1-sulfonic acid
• 英文别名: 3-(di-tert-butylphosphonium)propane sulfonate；DTBPPS；3-ditert-butylphosphaniumylpropane-1-sulfonate
• CAS: 1055888-89-5
• 化学式: C₁₁H₂₅O₃PS
• 分子量: 268.357
• InChiKey: JPNPRWMRUCIEMN-UHFFFAOYSA-N

物化性质

• 熔点：
  132 °C

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  16
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  65.6
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• TSCA：
  No
• 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: Di-t-butyl(3-sulfonatopropyl)phosphine, min. 98%
CAS Registry Number: 1055888-89-5
Formula: (C4H9)2PCH2CH2CH2SO3H
EINECS Number: none
Chemical Family: organophosphine ligand
Synonym: Bis(1,1-dimethylethyl)(-3-sulfonatopropyl)phosphane

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Section 2: Composition and Information on Ingredients
Ingredient CAS Number Percent ACGIH (TWA) OSHA (PEL)
Title compound 1055888-89-5 100% 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, eyes
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: no data
Autoignition Temperature: no data
Explosion Limits: no data
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
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
Store in a tightly sealed container under an inert atmosphere of nitrogen or argon. Keep in a cool, dry,
Handling and Storage:
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: white solid
Molecular Weight: 268.35
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: moisture sensitive
Hazardous Polymerization: no hazardous polymerization
Conditions to Avoid: prolonged exposure to moisture
Incompatibility: strong oxidizing agents
Decomposition Products: carbon monoxide, carbon dioxide, sulfur 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): 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 regulated 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：

  sodium tetrachloropalladate(II) 、 3-(二叔丁基磷基)丙烷-1-磺酸 以 水 为溶剂， 反应 0.08h， 以4.66 g的产率得到dichlorobis(di-tert-butyl(3-sulfopropyl)phosphonio)palladate(II)
  参考文献：
  名称：

  发现在非小细胞肺癌 (NSCLC) 模型的单一疗法和联合疗法中均有效的 ERK1/2 (AZD0364) 的强效和选择性口服抑制剂。

  摘要：

  RAS/MAPK 通路是肿瘤发生的主要驱动因素，在大约 30% 的人类癌症中失调，主要是由于 BRAF 或 RAS 基因的突变。细胞外信号调节激酶（ERK1 和 ERK2）作为该通路中的中心节点。通过在 BRAF V600E/K 转移性黑色素瘤中使用 BRAF 和 MEK 抑制剂观察到的临床反应已经证明了靶向 RAS/MAPK 通路的可行性；然而，耐药性经常出现。重要的是，ERK1/2 抑制可能在克服对 RAF 和 MEK 抑制剂的获得性耐药方面具有临床效用，其中发生了 RAS/MAPK 通路重新激活，例如复发的 BRAF V600E/K 黑色素瘤。我们描述了我们基于结构的设计方法，导致发现了 AZD0364，一种有效的 ERK1 和 ERK2 选择性抑制剂。

  DOI：

  10.1021/acs.jmedchem.9b01295
• 作为产物：
  描述：

  1,3-丙烷磺内酯 、 二-叔丁基膦 以 1,4-二氧六环 为溶剂， 反应 12.0h， 以81%的产率得到3-(二叔丁基磷基)丙烷-1-磺酸
  参考文献：
  名称：

  空间要求高的两性离子三烷基鏻磺酸盐作为空气稳定的配体前体用于芳基溴化物和氯化物的高效钯催化交叉偶联

  摘要：

  3-(二叔丁基鏻)丙磺酸盐 (DTBPPS) 和 3-(二金刚烷基鏻)丙磺酸盐 (DAPPS) 是用于水相钯催化交叉偶联反应的空气稳定预配体。发现 DTBPPS 和 DAPPS 在室温下为芳基溴化物 I 和 80 °C 下的 4-氯苯甲醚的 Sonogashira 偶联提供活性催化剂。这些配体还为室温下芳基溴化物的水相 Suzuki 偶联提供了有效的催化剂。

  DOI：

  10.1055/s-2008-1067095
• 作为试剂：
  描述：

  1-哌啶丙醇 在 正丁基锂 、 sodium tetrachloropalladate(II) 、 3-(二叔丁基磷基)丙烷-1-磺酸 、 sodium hydride 、 potassium carbonate 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 二氯甲烷 、 水 为溶剂， 反应 30.92h， 生成 7-fluoro-1-isopropyl-3-methyl-8-[6-[3-(1-piperidyl)propoxy]-3-pyridyl]imidazo[4,5-c]quinolin-2-one methanesulfonate
  参考文献：
  名称：

  [EN] DEUTERATED IMIDAZO[4,5-C]QUINOLIN-2-ONE COMPOUNDS AND THEIR USE IN TREATING CANCER
  [FR] COMPOSÉS IMIDAZO[4,5-C]QUINOLIN-2-ONE DEUTÉRÉS ET LEUR UTILISATION DANS LE TRAITEMENT DU CANCER

  摘要：

  该规范通常涉及到式（I）的化合物及其药用盐，其中R1具有本文中定义的含义。该规范还涉及使用式（I）的化合物及其盐来治疗或预防ATM介导的疾病，包括癌症。该规范进一步涉及含有取代的咪唑并呋喃并[4,5-c]喹啉-2-酮化合物及其药用盐的药物组合物；以及包含这些化合物和盐的试剂盒。

  公开号：

  WO2018167203A1

文献信息

• [EN] IMPROVED METHOD FOR THE MANUFACTURE OF 3-[(1S)-1-IMIDAZO[1,2-A]PYRIDIN-6-YLETHYL]-5-(1-METHYLPYRAZOL-4-YL)TRIAZOLO[4,5-B]PYRAZINE AND POLYMORPHIC FORMS THEREOF<br/>[FR] PROCÉDÉ AMÉLIORÉ POUR LA FABRICATION DE 3-[(1S)-1-IMIDAZO[1,2-A]PYRIDIN-6-YLÉTHYL]-5-(1-MÉTHYLPYRAZOL-4-YL)TRIAZOLO[4,5-B]PYRAZINE ET SES FORMES POLYMORPHES
  申请人：ASTRAZENECA AB

  公开号：WO2020053198A1

  公开（公告）日：2020-03-19

  This specification generally relates to an improved method for the manufacture of 3-[(lS)-l -imidazo[ 1,2-a]pyridin-6-ylethyl]-5-(l-methylpyrazol-4-yl)triazolo[4,5- bjpyrazine (I), or pharmaceutically acceptable salts thereof; polymorphic forms thereof; and intermediates useful in the manufacture of such compounds and salts thereof. Formula (I).

  这项规范通常涉及一种改进的方法，用于制造3-[(lS)-l -咪唑[1,2-a]吡啶-6-基乙基]-5-(l-甲基吡唑-4-基)三唑并[4,5-b]吡嗪(I)，或其药用盐；其多晶形式；以及在制造这类化合物及其盐时有用的中间体。公式(I)。
• Compounds and their use as BACE Inhibitors
  申请人：Csjernyik Gabor

  公开号：US20120165347A1

  公开（公告）日：2012-06-28

  The present invention relates to compounds of formula (I) and their pharmaceutical compositions. In addition, the present invention relates to therapeutic methods for the treatment and/or prevention of Aβ-related pathologies such as Down's syndrome, β-amyloid angiopathy such as but not limited to cerebral amyloid angiopathy or hereditary cerebral hemorrhage, disorders associated with cognitive impairment such as but not limited to MCI (“mild cognitive impairment”), Alzheimer's disease, memory loss, attention deficit symptoms associated with Alzheimer's disease, neurodegeneration associated with diseases such as Alzheimer's disease or dementia including dementia of mixed vascular and degenerative origin, pre-senile dementia, senile dementia and dementia associated with Parkinson's disease, progressive supranuclear palsy or cortical basal degeneration.

  本发明涉及式(I)的化合物及其药物组合物。此外，本发明涉及治疗方法，用于治疗和/或预防与Aβ相关的病理，如唐氏综合症，β-淀粉样蛋白血管病，如但不限于脑淀粉样蛋白血管病或遗传性脑出血，与认知损害相关的疾病，如但不限于MCI（“轻度认知损害”），阿尔茨海默病，记忆丧失，与阿尔茨海默病相关的注意力缺陷症状，与疾病如阿尔茨海默病或痴呆症相关的神经退行性疾病，包括混合性血管性和退行性起源的痴呆，早老性痴呆，老年性痴呆和与帕金森病、进行性上核性麻痹或皮层基底节变性相关的痴呆。
• [EN] IMIDAZO[4,5-C]QUINOLIN-2-ONE COMPOUNDS AND THEIR USE IN TREATING CANCER<br/>[FR] COMPOSÉS IMIDAZO[4,5-C]QUINOLÉINE-2-ONE ET LEUR UTILISATION DANS LE TRAITEMENT DU CANCER
  申请人：ASTRAZENECA AB

  公开号：WO2017076895A1

  公开（公告）日：2017-05-11

  The specification generally relates to compounds of Formula (I) and pharmaceutically acceptable salts thereof, where x, R1, R2, R3, R4 and R5 have any of the meanings defined herein. The specification also relates to the use of compounds of Formula (I) and salts thereof to treat or prevent ATM mediated disease, including cancer. The specification further relates to pharmaceutical compositions comprising substituted imidazo[4,5-c]quinolin-2-one compounds and pharmaceutically acceptable salts thereof; kits comprising such compounds and salts; methods of manufacture of such compounds and salts; and intermediates useful in such manufacture.

  该规范通常涉及式(I)的化合物及其药用盐，其中x，R1，R2，R3，R4和R5具有本规范中定义的任何含义。该规范还涉及使用式(I)的化合物及其盐来治疗或预防ATM介导的疾病，包括癌症。该规范进一步涉及包含取代咪唑并[4,5-c]喹啉-2-酮化合物及其药用盐的药物组合物；包含这些化合物和盐的试剂盒；制造这些化合物和盐的方法；以及在这种制造中有用的中间体。
• [EN] IMIDAZO[4,5-C]QUINOLIN-2-ONE COMPOUNDS AND THEIR USE IN TREATING CANCER<br/>[FR] COMPOSÉS IMIDAZO[4,5C]QUINOLINE-2-ONE ET LEUR UTILISATION DANS LE TRAITEMENT DU CANCER
  申请人：ASTRAZENECA AB

  公开号：WO2017076898A1

  公开（公告）日：2017-05-11

  The specification generally relates to compounds of Formula (I): (I) and pharmaceutically acceptable salts thereof, where R1, R2, R3 and R4 have any of the meanings defined herein. The specification also relates to the use of compounds of Formula (I) and salts thereof to treat or prevent ATM mediated disease, including cancer. The specification further relates to pharmaceutical compositions comprising substituted imidazo[4,5-c]quinolin-2-one compounds and pharmaceutically acceptable salts thereof; kits comprising such compounds and salts; methods of manufacture of such compounds and salts; and intermediates useful in such manufacture.

  该规范通常涉及式(I)的化合物及其药用盐，其中R1、R2、R3和R4具有本规范中定义的任何含义。该规范还涉及使用式(I)的化合物及其盐来治疗或预防ATM介导的疾病，包括癌症。该规范进一步涉及包含取代咪唑并[4,5-c]喹啉-2-酮化合物及其药用盐的药物组合物；包含这些化合物和盐的试剂盒；制造这些化合物和盐的方法；以及在这种制造中有用的中间体。
• [EN] 8-[6-[3-(AMINO)PROPOXY]-3-PYRIDYL]-1 -ISOPROPYL-IMIDAZO[4,5-C]QUINOLIN-2-ONE DERIVATIVES AS SELECTIVE MODULATORS OF ATAXIA TELANGIECTASIA MUTATED (ATM) KINASE FOR THE TREATMENT OF CANCER<br/>[FR] DÉRIVÉS 8-[6-[3-(AMINO)PROPOXY]-3-PYRIDYL]-1-ISOPROPYL-IMIDAZO[4,5-C]QUINOLÉIN-2-ONE UTILISÉS EN TANT QUE MODULATEURS SÉLECTIFS DE L'ATAXIE TÉLANGIECTASIE MUTÉE (ATM) KINASE POUR LE TRAITEMENT DU CANCER
  申请人：ASTRAZENECA AB

  公开号：WO2017046216A1

  公开（公告）日：2017-03-23

  The specification generally relates to compounds of Formula (I): and pharmaceutically acceptable salts thereof, where Rl, R2, R3, R4 and R5 have any of the meanings defined herein. The specification also discloses the use of compounds of Formula (I) and salts thereof to treat or prevent ATM mediated disease, including cancer. The specification further relates to pharmaceutical compositions comprising substituted imidazo[4,5-c]quinolin-2-one compounds and pharmaceutically acceptable salts thereof; kits comprising such compounds and salts; methods of manufacture of such compounds and salts; and intermediates useful in such manufacture.

  该规范通常涉及Formula (I)的化合物及其药用盐，其中R1、R2、R3、R4和R5具有本规范中定义的任何含义。该规范还披露了利用Formula (I)的化合物及其盐来治疗或预防ATM介导的疾病，包括癌症。该规范进一步涉及包含取代咪唑并[4,5-c]喹啉-2-酮化合物及其药用盐的药物组合物；包含这些化合物和盐的试剂盒；制造这些化合物和盐的方法；以及在这种制造中有用的中间体。