Titanium(IV) isopropoxide 四异丙醇钛

CAS 546-68-9 MFCD00008871

化学结构图

546-68-9
SMILES: CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].[Ti+4]

化学属性

Mol. FormulaC12H28O4Ti
Mol. Weight284.22
Refractive index1.4620 to 1.4680
Boiling Point232
Density0.96
Melting Point14-17
Flash Point46°C(lit.)
TSCAYes
Solubility溶于水，无水乙醇，氯仿，乙醚和苯。
Stability易吸潮
Appearance colorless to pale yellow liq. colorless liq.
Danger-Level乙类
pH-:-
Redox-

别名和识别编码

Chemical NameTitanium tetraisopropanolate
Synonym ISOPROPYL TITANATE(IV) Orgatix TA 10 TETRAISOPROPYL ORTHOTITANATE TITANIUM (IV) TETRA-I-PROPOXIDE TITANIUM ISO-PROPYLATE TITANIUM TETRAISOPROPOXIDE TT Tetraisopropoxide titanium Tetraisopropyl orthotitanate Tetraisopropyl titanate Tetraisopropylorthotitanat Tita Titanium isopropoxide (Ti(OC3H7)4) Titanium isopropylate Titanium tetraisopropoxide Titanium tetrakis(iso-propoxide) Titanium tetrakis(isopropo Titanium(4+) isopropoxide Titaniumisopropoxide orthotitanic acid tetraisopropyl ester titan {} {} { {} {} {uni_hambu 四异丙基钛酸酯 四异丙醇钛 四异丙醇钛(IV) 鈦酸四異丙酯 钛
CAS Number546-68-9
PubChem Substance ID87576136
EC Number208-909-6
Beilstein Registry Number3679474
MDL NumberMFCD00008871
Reaxys-RN3679474
Merck Number9480
Chemical Name Translation四异丙醇钛
Wiswesser Line Notation3O-TI-O3&O3&O3
LabNetwork Molecule IDLN00224873
InChIInChI=1S/4C3H7O.Ti/c4*1-3(2)4;/h4*3H,1-2H3;/q4*-1;+4
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分类

  • {SNA} 25mL Sure/Seal Reagents, Catalysis and Inorganic Chemistry, Chemical Synthesis, Lewis Acids,
  • {SNA} 25mL Sure/Seal Reagents, Acids, Acids & Bases, Alternative Energy, Catalysis and Inorganic Chemistry, Chemical Synthesis, Lewis Acids,
  • {SNA} Acids, Acids & Bases, Alternative Energy,
  • {SNA} 22: Titaniu

产品应用

  • 主要用于有机合成中的酯交换反应和缩合反应的催化剂。常作为前体用于制备二氧化钛 (TiO2)。由四异丙醇钛经过溶胶-凝胶两步法可形成新型金属氧化物/膦酸盐杂化物。钛酸锶钡薄膜的原料。用于制备多孔钛硅酸盐，这是用于清除放射性废弃物的潜在离子交换材料。用于形成由 TiO2 纳米晶-紫精电子受体复合物构成的非均相超分子，已证明其能够发生光诱导的电子转移。

相关文献及参考

  • Short: IV/18A
  • For a brief feature on uses of the reagent, see: Synlett, 2261 (2003).
  • Also catalyzes the ring-opening of 2,3-epoxy alcohols (e.g. from the above reactions) with various nucleophiles, including amines, thiols, thiolate anions, halides, carboxylates etc. The mild conditions result in increased regioselectivity: J. Org. Chem., 50, 1557 (1985).
  • Also catalyzes the ring-opening of 2
  • For use in the Sharpless enantioselective epoxidation of allylic alcohols, see tert-Butyl­ hydroperoxide, A13926. For analogous enantioselective oxidation of sulfides to sulfoxides, see Cumene hydroperoxide, L06866. Epoxy alcohols can also be obtained in high yield in one pot by hydroperoxidation of alkenes with singlet oxygen in the presence of Ti(O-i-Pr)4: J. Am. Chem. Soc., 111, 203 (1989).
  • Catalyst for transesterification, avoiding acidic or basic conditions. The reaction is carried out such that one alcohol is removed to displace the equilibrium: Synthesis, 138 (1982); Org. Synth. Coll., 8, 201 (1993). For application to carbamates, including Boc to Cbz conversion, see: J. Org. Chem., 62, 7096 (1997).
  • See also Dimethyl­amine hydrochloride, A12133.
  • {AL
  • For conversion of epoxides to episulfides, see Thiourea, A12828. For use in reductive alkylation of amines, see Sodium cyanoborohydride, 87839. For use in enantioselective synthesis of homoallylic alcohols, see (R)-(+)-1,1'-Bi(2-naphthol)­, L08305. For reduction of amides to aldehydes, see Diphenyl­silane, A10884.
  • Merck:14,9480 Beilstein:1(2)382
  • Merck:14,9480

安全信息

GHS Symbol
WGK Germany1
Hazard statements
  • H226 Flammable liquid and vapour 易燃液体和蒸气
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H331 Toxic if inhaled 吸入中毒
  • H336 May cause drowsiness or dizziness 肯能导致嗜睡或头晕
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Hazard Codes 3
RTECSNT8060000
Precautionary statements
  • P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking. 远离热源/火花/明火/热的表面。——禁止吸烟。
  • P233 Keep container tightly closed. ?保持容器密闭。
  • P240 Ground/bond container and receiving equipment. 与地面接触/连接集装箱和接受设备。
  • P241+P242+P243
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
  • P303+P361+P353
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P332+P313
  • P337+P313
  • P370+P378
  • P403+P235
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word Danger
UN Number 2413 UN 2413 3/PG 3
Risk Statements
  • R10 Flammable 易燃
  • R36 Irritating to eyes 刺激眼睛
  • R67 Vapours may cause drowsiness and dizziness 蒸汽可能导致嗜睡和昏厥
Safety Statements
  • S16 Keep away from sources of ignition - No smoking 远离火源，禁止吸烟；
  • S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；
  • S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护；
Storage condition Moisture Sensitive Flammables area 易吸潮 储存温度2-8℃
Packing GroupIII
Hazard Class3
Warnings 危化品目录(2015) 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : >16 mL/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   TXAPA9 Toxicology and Applied Pharmacology.  (Academic Press, Inc., 1 E.
   First St., Duluth, MN 55802) V.1-    1959-  Volume(issue)/page/year:
   28,313,1974

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 7460 uL/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   TXAPA9 Toxicology and Applied Pharmacology.  (Academic Press, Inc., 1 E.
   First St., Duluth, MN 55802) V.1-    1959-  Volume(issue)/page/year:
   28,313,1974

Restrict -

其他信息

  • 用途一:用于制取粘合剂，用作酯交换反应和聚合反应的催化剂
  • 用途四:用于制取金属与橡胶、金属与塑料的粘合剂，也用作酯交换反应和聚合反应的催化剂和制药工业的原料。
  • 海关编码:29051900
  • 外观性质:无色至淡黄色液体，在潮湿空气中发烟。
  • Alfa Aesar:四异丙醇钛(IV),99.995%(metalsbasis) Titanium(IV) isopropoxide, 99.995% (metals basis)(546-68-9)
  • 方法一:四氯化钛、异丙醇、液氨在甲苯中酯化，吸滤除去副产氯化铵，再经蒸馏得成品。原料消耗（kg/t）甲苯（98%） 1000四氯化钛（99%） 1500异丙醇（98%） 1600液氨 1400
  • 检测方法:NMR
  • MOL 文件:546-68-9.mol
  • Sigma Aldrich:546-68-9(sigmaaldrich)
  • 用途二:用于酯的交换反应
  • 敏感性:Moisture Sensitive
  • 用途五:主要用于有机合成中的酯交换反应和缩合反应的催化剂。
  • MSDS 信息:钛酸(四)异丙酯(546-68-9).msds
  • TSCA:Yes
  • 凝固点:14.8℃
  • 存储注意事项:湿度敏感;氮气保护
  • F:21
  • 在潮湿空气中发烟。溶于多数有机溶剂，该产品极易跟-NH3、-OH、-COOH、-CONH2等到极性基团反应，特别是极易跟水发生水解，应密封避水存放。
  • 上游原料:甲苯 --> 异丙醇 --> 四氯化钛 --> 四氯化钛
  • 图谱信息:钛酸四异丙酯(546-68-9)质谱(MS) 钛酸四异丙酯(546-68-9)红外图谱(IR1) 钛酸四异丙酯(546-68-9)核磁图( 1 HNMR) 钛酸四异丙酯(546-68-9)核磁图( 13 CNMR)
  • TCI Shanghai:钛酸四异丙酯 Tetraisopropyl Orthotitanate(546-68-9)
  • 用途三:用作助剂和化工产品中间体
  • Acros Organics:四异丙醇钛 Titanium(IV) isopropoxide, 98+%(546-68-9)
  • 钛酸四异丙酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 xw010199 钛酸四异丙酯 100ml 95元 2011/08/23 K8756001 四异丙醇钛 100ml 200元 2011/08/23 TT013302 钛酸四异丙酯 25g 160元
  • 下游产品:三苯氧基苯甲醛 --> 2-甲基-2-丙烯酸-2,3-二羟基丙酯 --> 联二萘酚钛络合物

系列性分类

  1. Chemical Synthesis 化学合成
  2. Catalysis and Inorganic Chemistry 催化剂和无机化学
  3. Titanium - Catalysis and Inorganic Chemistry
  1. Chemical Synthesis 化学合成
  2. Organometallic Reagents 金属有机试剂
  3. Organocopper - Organometallic Reagents
  1. Chemical Synthesis 化学合成
  2. Organometallic Reagents 金属有机试剂
  3. Organocopper - Organometallic Reagents
  1. Chemical Synthesis 化学合成
  2. Synthetic Reagents 合成试剂
  3. Lewis Acids 路易斯酸
  4. Tin - Lewis Acids
  1. Chemical Synthesis 化学合成
  2. Synthetic Reagents 合成试剂
  3. Lewis Acids 路易斯酸
  4. Titanium - Lewis Acids
  1. Materials Science 材料科学
  2. Micro/NanoElectronics - Materials Science
  3. Vapor Deposition Precursors - Micro/NanoElectronics
  4. CVD and ALD Precursors Packaged for Deposition Systems - Vapor Deposition Precursors
  1. Materials Science 材料科学
  2. Micro/NanoElectronics - Materials Science
  3. Solution Deposition Precursors - Micro/NanoElectronics
  4. Titanium - Solution Deposition Precursors
  1. Chemical Synthesis 化学合成
  2. Synthetic Reagents 合成试剂
  3. Catalysts for Organic Synthesis 有机合成催化剂
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Chemicals by Class 化学分类法
  4. Metal Compounds 金属化合物
  1. Chemical Synthesis 化学合成
  2. Catalysis and Inorganic Chemistry 催化剂和无机化学
  3. Tin
  1. CVD & ALD Precursors
  1. CVD & ALD Precursors
  1. CVD & ALD Precursors
  1. CVD & ALD Precursors
  1. Alkoxide
  2. Titanium
  1. CVD & ALD Precursors
  2. Titanium
  1. Metal Alkoxides for CVD & ALD
  2. Titanium
  1. Catalysts
  2. Titanium

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