4-(3-(3,5-Bis(trimethylsilyl)phenyl)-3-oxo-1-propenyl)benzoic acid

Base Information

Chemical Name:4-(3-(3,5-Bis(trimethylsilyl)phenyl)-3-oxo-1-propenyl)benzoic acid
CAS No.:125973-58-2
Molecular Formula:C22H28 O3 Si2
Molecular Weight:396.6269
Hs Code.:
Nikkaji Number:J294.274G,J783.041F
ChEMBL ID:CHEMBL284744
Mol file:125973-58-2.mol

Synonyms:4-(3-(3,5-bis(trimethylsilyl)phenyl)-3-oxo-1-propenyl)benzoic acid;Ch 55S;Ch55S

Suppliers and Price of 4-(3-(3,5-Bis(trimethylsilyl)phenyl)-3-oxo-1-propenyl)benzoic acid

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 3 raw suppliers

Chemical Property of 4-(3-(3,5-Bis(trimethylsilyl)phenyl)-3-oxo-1-propenyl)benzoic acid

Chemical Property:

Vapor Pressure:8.25E-10mmHg at 25°C
Boiling Point:474.5°Cat760mmHg
Flash Point:240.8°C
PSA：54.37000
Density:1.07g/cm³
LogP:4.37130
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:396.15769782
Heavy Atom Count:27
Complexity:541

Purity/Quality:: 98%min ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C[Si](C)(C)C1=CC(=CC(=C1)C(=O)C=CC2=CC=C(C=C2)C(=O)O)[Si](C)(C)C
Isomeric SMILES:C[Si](C)(C)C1=CC(=CC(=C1)C(=O)/C=C/C2=CC=C(C=C2)C(=O)O)[Si](C)(C)C

Technology Process of 4-(3-(3,5-Bis(trimethylsilyl)phenyl)-3-oxo-1-propenyl)benzoic acid

There total 4 articles about 4-(3-(3,5-Bis(trimethylsilyl)phenyl)-3-oxo-1-propenyl)benzoic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 66.0%

: 81500-98-3
3,5-bis(trimethylsilyl)acetophenone

: 1571-08-0
methyl 4-formylbenzoate

: 125973-58-2
(E)-4-<3-<3,5-bis(trimethylsilyl)phenyl>-3-oxo-1-propenyl>benzoic acid

Guidance literature:: With sodium hydroxide; In tetrahydrofuran;
DOI:10.1021/jm00167a024

Reference yield:

: 626-39-1
1,3,5-trisbromobenzene

: 125973-58-2
(E)-4-<3-<3,5-bis(trimethylsilyl)phenyl>-3-oxo-1-propenyl>benzoic acid

Guidance literature:: Multi-step reaction with 3 steps

1: 56 percent / Mg / tetrahydrofuran

2: 77 percent / AlCl₃ / CS₂ / 1 h / 0 °C

3: 66 percent / 1 N NaOH / tetrahydrofuran

With sodium hydroxide; aluminium trichloride; magnesium; In tetrahydrofuran; carbon disulfide;
DOI:10.1021/jm00167a024

Reference yield:

: 5624-60-2
1,3,5-tris(trimethylsilyl)benzene

: 125973-58-2
(E)-4-<3-<3,5-bis(trimethylsilyl)phenyl>-3-oxo-1-propenyl>benzoic acid

Guidance literature:: Multi-step reaction with 2 steps

1: 77 percent / AlCl₃ / CS₂ / 1 h / 0 °C

2: 66 percent / 1 N NaOH / tetrahydrofuran

With sodium hydroxide; aluminium trichloride; In tetrahydrofuran; carbon disulfide;
DOI:10.1021/jm00167a024