Home > Compound List > Compound details
18752-21-1 molecular structure
click picture or here to close

triphenyl(prop-2-en-1-yl)silane

ChemBase ID: 149549
Molecular Formular: C21H20Si
Molecular Mass: 300.469
Monoisotopic Mass: 300.13342717
SMILES and InChIs

SMILES:
C=CC[Si](c1ccccc1)(c1ccccc1)c1ccccc1
Canonical SMILES:
C=CC[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChI:
InChI=1S/C21H20Si/c1-2-18-22(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h2-17H,1,18H2
InChIKey:
DXJZZRSMGLGFPW-UHFFFAOYSA-N

Cite this record

CBID:149549 http://www.chembase.cn/molecule-149549.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
triphenyl(prop-2-en-1-yl)silane
IUPAC Traditional name
triphenyl(prop-2-en-1-yl)silane
Synonyms
Allyltriphenylsilane
烯丙基三苯基硅烷
CAS Number
18752-21-1
MDL Number
MFCD00077644
Beilstein Number
2941926
PubChem SID
162243714
24863409
PubChem CID
278642

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 278642 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 5.7277  LogD (pH = 7.4) 5.7277 
Log P 5.7277  Molar Refractivity 91.1839 cm3
Polarizability 37.89826 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
87-90 °C expand Show data source
87-90 °C(lit.) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Purity
≥98.0% (HPLC) expand Show data source
98% expand Show data source
Grade
purum expand Show data source
Linear Formula
H2C=CHCH2Si(C6H5)3 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 375853 external link
Packaging
1, 5 g in glass bottle
Sigma Aldrich - 06080 external link
Other Notes
Reagent used for the preparation of vinylsilanes (via γ-alkylation of triphenylsilylallyllithium; γ-alkylation is preferred compared to the TMS analogue which gives also α-alkylated products)1; For a practical and stereoselective synthesis of 1,3-dienes2

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