(3,3-二甲基-1-丁炔)六羰基二钴 | 56792-69-9

• 物质功能分类: 有机原料 - 有机金属类化合物 - 有机铋、钴、镨、钆、镓、铱、铼、钇、铽等
• 分子结构分类: 有机化合物 - 有机卤素化合物 - 卤代乙炔及其衍生物
• 中文名称: (3,3-二甲基-1-丁炔)六羰基二钴
• 英文名称: CCTBA
• 英文别名: Carbon monoxide;cobalt;3,3-dimethylbut-1-yne；carbon monoxide;cobalt;3,3-dimethylbut-1-yne
• CAS: 56792-69-9
• 化学式: C₁₂H₁₀Co₂O₆
• 分子量: 368.194
• InChiKey: ZJCVAZZKJPVOPY-UHFFFAOYSA-N

物化性质

• 沸点：
  52°C / 0.8
• 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)：
  1.44
• 重原子数：
  20
• 可旋转键数：
  1
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  6
• 氢给体数：
  0
• 氢受体数：
  6

安全信息

• 储存条件：
  存放在阴凉干燥处即可。

SDS

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Section 1: Product Identification
Chemical Name: (3,3-Dimethyl-1-butyne)dicobalt hexacarbonyl, 98%
CAS Registry Number: 56792-69-9
Formula: Co2O6C13H10
EINECS Number: none
Chemical Family: metalocene
Synonym: none

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Section 2: Composition and Information on Ingredients
Ingredient CAS Number Percent ACGIH (TWA) OSHA (PEL)
Title compound 56792-69-9 100% 0.02mg/m3 (as Co) no data

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Section 3: Hazards Identification
Harmful by inhalation and if swallowed. Inhalation can lead to headaches and dizziness. May cause
Emergency Overview:
sensitization by skin contact. Limited evidence of a carcinogenic effect.
Primary Routes of Exposure: Ingestion, inhalation
Eye Contact: May cause mild irritation to the eyes.
Skin Contact: May cause mild irritation to the skin. May cause sensitization by skin contact.
Inhalation: Harmful by inhalation. Inhalation could lead to dizziness and headache.
Ingestion: Harmful if swallowed.
Harmful by inhalation and if swallowed. Inhalation can lead to headaches and dizziness. May cause
Acute Health Affects:
sensitization by skin contact.
Chronic Health Affects: Limited evidence of a carcinogenic effect.
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 toxic carbon monoxide, carbon dioxide and cobalt oxide dust.
Decomposion Products:
Unusual Fire or Explosion Hazards: Flammable liquid. 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 cool, dry, well-ventilated area away from heat and direct sunlight. Prolonged exposure to air may
Handling and Storage:
result in degradation of the product. Keep containers tightly sealed.

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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: dark red liquid
Molecular Weight: 368.07
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: prolonged contact with air
Incompatibility: oxidizing agents and halogens
Decomposition Products: carbon dioxide, carbon monoxide, organic fumes, cobalt 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 local, state and federal 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

制备方法与用途

概述

(3,3-二甲基-1-丁炔)六羰基二钴（CCTBA）是一种用于制造设备重要功能层的含钴化学气相沉积/原子层沉积前体。

应用

(3,3-二甲基-1-丁炔)六羰基二钴是制备钴金属、氮化钴、钴硅化物等的重要前驱体，特别是在钴阻挡层/衬层、共覆盖层和共晶种层的应用中表现出优异的性能。在阻挡层和种子层的情况下，钴膜显示出良好的导电性，并能有效促进后续种子形成和电镀步骤。

反应信息

• 作为反应物：
  描述：

  (3,3-二甲基-1-丁炔)六羰基二钴 以 not given 为溶剂， 生成
  参考文献：
  名称：

  Huebel, W., in: I. Wender, P. Pino, Organic Syntheses via Metal Carbonyls, Bd. 1, New York-London-Sydney 1968, S. 273/342

  摘要：

  DOI：
• 作为产物：
  描述：

  dicobalt octacarbonyl 、 3,3-二甲基-1-丁炔 以 正己烷 为溶剂， 以90-97的产率得到(3,3-二甲基-1-丁炔)六羰基二钴
  参考文献：
  名称：

  炔烃双钴配合物高度非对映选择性配位的新半不稳定（P，S）配体的设计：在不对称分子间Pauson-Khand反应中的应用

  摘要：

  在这里，我们合成了新一代的半不稳定的P，S配体，其设计用于与末端炔烃-六羰基二钴配合物进行非对映选择性配位。樟脑衍生的CamPHOS（2）和MeCamPHOS（12）配体以其硼烷保护的形式从易得的1,3-氧杂蒽4开始以68％和59％的产率获得。研究了对二钴-六羰基-炔烃（HCCR，R = Ph，Bu t，SiMe 3，C（CH 3）2 OH）配合物的热诱导配位作用。MeCamPHOS（12）对配位化合物（高达90％de）的配位提供了前所未有的非对映选择性。具有[Co2（μ-卜吨SO 2 C）2（CO）6 ]，测定并确认偏好来协调所述双金属簇中的一个桥接方式。生成的加合物被提交到分子间的Pauson-Khand环化反应中。值得注意的是，CamPHOS和MeCamPHOS提供了相反绝对配置的Pauson-Khand产品。可以通过2和11个配体产生伪对映体四羰基络合物来解释这种行为，这已通过圆二色性分析得到了证实。CH

  DOI：

  10.1021/om021008f

文献信息

• Synthesis of Dicarbonyl(η⁴-tricarbonylcobaltacyclopentadiene)cobalt Complexes from Co₂(CO)₈. A General Route to Intermediates in Cobalt Carbonyl Mediated Alkyne Trimerization
  作者：R. John Baxter、Graham R. Knox、Peter L. Pauson、Mark D. Spicer

  DOI：10.1021/om980544y

  日期：1999.1.1

  cobaltacyclopentadiene complexes, derived from cobalt carbonyl and two alkyne molecules and long believed to be intermediates in cyclotrimerization as well as in the formation of the (three-alkyne-derived) “flyover” complexes, can be isolated in selected cases if the mono(alkyne)−Co2(CO)6 complexes are treated at room temperature with just 1 equiv of alkyne in the presence of trimethylamine N-oxide. The complex (PhCCHCMeCMe)Co2(CO)5

  我们已经表明，在某些情况下，可以分离出衍生自羰基钴和两个炔烃分子的钴环戊二烯络合物，人们长期以来认为它们是环三聚化以及（三炔烃衍生的）“立交”络合物形成中的中间体。在三甲胺N-氧化物存在下，仅用1当量的炔在室温下处理单（炔）-Co 2（CO）6络合物。配合物（PhC CHCMe CMe）Co 2（CO）5已通过X射线晶体学表征。
• Acetylene−Dicobaltcarbonyl Complexes with Chiral Phosphinooxazoline Ligands:  Synthesis, Structural Characterization, and Application to Enantioselective Intermolecular Pauson−Khand Reactions
  作者：Jaume Castro、Albert Moyano、Miquel A. Pericàs、Antoni Riera、Angel Alvarez-Larena、Joan F. Piniella

  DOI：10.1021/ja001143o

  日期：2000.8.23

  of the diastereomer nonchelated complexes 11a,b−15a,b. The interconversion rate between diastereomeric pairs is dependent on the steric bulk of the alkyne substituent, and neither 3 nor 5 epimerize at room temperature. The structures of both kinds of complexes have been ascertained by a combination of spectroscopical (IR, NMR), X-ray diffraction, and chiroptical methods; this has allowed the development

  苯乙炔-二钴六羰基配合物 (2) 与 4-R-2-(2-二苯基膦基苯基) 恶唑啉 1 (R = Ph) 和 4 (R = CH2CH2SCH3) 的反应导致螯合配合物 3 和 5 的选择性形成， 分别。另一方面，叔丁基取代的膦基恶唑啉 6 作为单齿配体，它与几个 1-炔烃衍生的配合物 (2,7-10) 的反应提供了非对映异构体非螯合配合物 11a,b- 的易于分离的混合物15a，b。非对映体对之间的相互转化率取决于炔烃取代基的空间体积，并且在室温下既不是 3 也不是 5 差向异构化。两种配合物的结构已经通过光谱（IR、NMR）、X射线衍射和手光学方法的组合确定；
• METHOD OF SELECTIVELY FORMING COBALT METAL LAYER BY USING COBALT COMPOUND, AND METHOD OF FABRICATING SEMICONDUCTOR DEVICE BY USING COBALT COMPOUND
  申请人：SAMSUNG ELECTRONICS CO., LTD.

  公开号：US20210032279A1

  公开（公告）日：2021-02-04

  A method of selectively forming a cobalt metal layer includes supplying a cobalt compound represented by Chemical Formula (1) onto a substrate that includes a wiring line of a late transition metal and an isolation film adjacent thereto, and supplying a reducing gas to selectively form a cobalt metal layer on the wiring line,

  一种选择性形成钴金属层的方法包括将化学式（1）表示的钴化合物供应到包括晚过渡金属导线和相邻的隔离膜的衬底上，并供应还原气体以选择性地在导线上形成钴金属层。
• Regioselective phosphine attack on the coordinated alkyne in Co2(μ-alkyne) complexes Reactivity studies and X-ray diffraction structures of Co2(CO)4(bma)(μ-HCCtBu) and the zwitterionic hydrocarbyl complexes
  作者：Kaiyuan Yang、Simon G. Bott、Michael G. Richmond

  DOI：10.1016/0022-328x(95)06090-j

  日期：1996.6

  examined for their reactivity with the redox-active diphosphine ligand 2,3-bis(diphenylphosphino)maleic anhydride (bma). Thermal and Me3NO-induced activation of each Co2(CO)6(μ-R′CCR) compound initiallyfurnishes the binuclear compounds Co2(CO)4(bma)(μ-R′CCR) (1c, R′  H, R  Ph; 2c, R′  H, R  tBu; 3c, R′  Me, R  Ph), all of which are shown to possess a chelating bma ligand. These compounds exhibit

  所述炔烃桥接化合物的钴2（CO）6（μ-R'CCR）其中R'H，R，PH，吨卜; 研究了R'Me，RPh）与氧化还原活性二膦配体2,3-双（二苯基膦基）马来酸酐（bma）的反应性。热和Me 3 NO诱导的每种Co 2（CO）6（μ-R'CCR）化合物的活化最初都为双核化合物Co 2（CO）4（bma）（μ-R'CCR）（1c，R'H，R Ph; 2c，R'H，R t Bu; 3c，R′Me，RPh），所有这些都显示具有螯合的bma配体。这些化合物显示出可逆的螯合物至桥bma配体异构化过程，该过程通过涉及解离性CO损失的途径进行。螯合异构体的稳定性取决于炔烃取代基的空间体积，其中桥接异构体（1b，2b，3b）仅在环境温度下才对Co 2（CO）4（bma）（μ- HCC吨卜）（图2b）。在高于60°C的温度下观察到对区域中至少被取代的炔烃的区域选择性膦攻击，从而得到相应的两
• COBALT PRECURSOR AND METHODS FOR MANUFACTURE USING THE SAME
  申请人：Samsung Electronics Co., Ltd.

  公开号：US20200339618A1

  公开（公告）日：2020-10-29

  The inventive concept relates to a cobalt precursor, a method for manufacturing a cobalt-containing layer using the same, and a method for manufacturing a semiconductor device using the same. More particularly, the cobalt precursor of the inventive concept includes at least one compound selected from the group consisting of a compound of Formula 1 and a compound of Formula 2.

  这项创新概念涉及一种钴前体，一种利用该钴前体制造含钴层的方法，以及一种利用该钴前体制造半导体器件的方法。更具体地，这项创新概念的钴前体包括至少选自化合物Formula 1和化合物Formula 2组成的化合物。