Home > Compound List > Compound details
67719-69-1 molecular structure
click picture or here to close

chloro[(dimethylalumanyl)methyl]titaniumbis(ylium); bis(cyclopenta-2,4-dien-1-ide)

ChemBase ID: 150543
Molecular Formular: C13H18AlClTi
Molecular Mass: 284.583558
Monoisotopic Mass: 284.03918819
SMILES and InChIs

SMILES:
C[Al](C)C[Ti+2]Cl.C1=C[CH-]C=C1.C1=C[CH-]C=C1
Canonical SMILES:
[CH-]1C=CC=C1.[CH-]1C=CC=C1.Cl[Ti+2]C[Al](C)C
InChI:
InChI=1S/2C5H5.2CH3.CH2.Al.ClH.Ti/c2*1-2-4-5-3-1;;;;;;/h2*1-5H;2*1H3;1H2;;1H;/q2*-1;;;;;;+3/p-1
InChIKey:
QLLAQVSHVATAQY-UHFFFAOYSA-M

Cite this record

CBID:150543 http://www.chembase.cn/molecule-150543.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
chloro[(dimethylalumanyl)methyl]titaniumbis(ylium); bis(cyclopenta-2,4-dien-1-ide)
IUPAC Traditional name
chloro[(dimethylalumanyl)methyl]titaniumbis(ylium); bis(cyclopentadienide)
Synonyms
Bis(cyclopentadienyl)-μ-chloro-(dimethylaluminum)-μ-methylenetitanium
Tebbe reagent solution
双(环戊二烯基)-μ-氯化(二甲基铝)-μ-亚甲基钛
TEBBE 试剂 溶液
CAS Number
67719-69-1
MDL Number
MFCD00151575
PubChem SID
24863730
162244704
PubChem CID
71311473

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
380237 external link Add to cart Please log in.
Data Source Data ID
PubChem 71311473 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.708  LogD (pH = 7.4) 2.708 
Log P 2.708  Molar Refractivity 21.7108 cm3
Polarizability 13.463761 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Flash Point
39.2 °F expand Show data source
4 °C expand Show data source
Density
0.927 g/mL at 25 °C expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
Flammable Flammable (F) expand Show data source
UN Number
2924 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
3 expand Show data source
Packing Group
2 expand Show data source
Risk Statements
63-11-34-48/20-65-67 expand Show data source
Safety Statements
16-26-36/37/39-45-62 expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS05 expand Show data source
GHS07 expand Show data source
GHS08 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H225-H304-H314-H336-H361d-H373 expand Show data source
GHS Precautionary statements
P210-P261-P280-P301 + P310-P305 + P351 + P338-P310 expand Show data source
Personal Protective Equipment
Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 2924 3/PG 2 expand Show data source
Concentration
0.5 M in toluene expand Show data source
Empirical Formula (Hill Notation)
C13H18AlClTi expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 380237 external link
Application
A versatile methylenation reagent for the conversion of ketones and aldehydes to olefins, it offers facile reaction with hindered ketones and allows the conversion of esters to vinyl ethers.1
Tebbe reagent can be used to olefinate aldehydes.
Used to methylenate a chiral polyhydroxyketone with high diasteroselctivity.
Packaging
25, 4×25, 100 mL in Sure/Seal™

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle