t-Butyl 4-vinylbenzoate

Base Information

• Chemical Name: t-Butyl 4-vinylbenzoate
• CAS No.: 84740-98-7
• Molecular Formula: C13H16O2
• Molecular Weight: 204.269
• DSSTox Substance ID: DTXSID10433764
• Nikkaji Number: J911.081J
• Wikidata: Q82247979
• Mol file: 84740-98-7.mol

Synonyms:t-butyl 4-vinylbenzoate;Tert-butyl 4-ethenylbenzoate;84740-98-7;4-BOC-styrene.;Benzoic acid, 4-ethenyl-, 1,1-dimethylethyl ester;87261-04-9;4-t-butoxycarbonyl styrene;tert-butyl 4-vinylbenzoate;SCHEMBL394001;DTXSID10433764;HPBNICVODIHXKB-UHFFFAOYSA-N;4-Vinylbenzoic acid tert-butyl ester;AKOS025296099

Chemical Property of t-Butyl 4-vinylbenzoate

Chemical Property:

• PSA: 26.30000
• LogP: 3.28490
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 204.115029749
• Heavy Atom Count: 15
• Complexity: 229

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)C1=CC=C(C=C1)C=C

Technology Process of t-Butyl 4-vinylbenzoate

There total 22 articles about t-Butyl 4-vinylbenzoate 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: 91.0%

4-(tert-butoxycarbonyl)benzaldehyde (65874-27-3) + Methyltriphenylphosphonium bromide (1779-49-3) → 4-t-butyloxycarbonylstyrene (84740-98-7)

Guidance literature:

Methyltriphenylphosphonium bromide; With n-butyllithium; In tetrahydrofuran; hexane;

4-(tert-butoxycarbonyl)benzaldehyde; In tetrahydrofuran; hexane; at 0 ℃; for 2h;

DOI:10.1016/j.tet.2005.05.006

Reference yield: 81.0%

(1S*,2S*,1'S*)-2-(tert-butoxycarbonyl)-1-(1′-(4′′-(tert-butoxycarbonyl)phenyl)ethyl)-1-methylazetidin-1-ium trifluoromethanesulfonate → tert-butyl 2-(5-(tert-butoxycarbonyl)-2-ethylphenyl)-1-methylazetidine-2-carboxylate + 4-t-butyloxycarbonylstyrene (84740-98-7)

Guidance literature:

With potassium tert-butylate; In tetrahydrofuran; at 0 ℃; for 3h; Inert atmosphere;

DOI:10.1039/c7ob01391d

Reference yield: 75.8%

di-tert-butyl dicarbonate (24424-99-5) + 4-ethenylbenzoic acid (1075-49-6) → 4-t-butyloxycarbonylstyrene (84740-98-7)

Guidance literature:

With dmap; In tert-butyl alcohol; at 20 ℃; for 3h;

DOI:10.1002/chem.201001967

upstream raw materials:

4-(tert-butoxycarbonyl)benzaldehyde

Methyltriphenylphosphonium bromide

2-<<(N,N-Dimethylamino)methylene>amino>-4(3H)-oxo-3-<(pivaloyloxy)methyl>-5H-pyrrolo<3,2-d>pyrimidine

tert-Butyl 4-(2-bromoethyl)benzoate

Downstream raw materials:

tert-butyl 4-[2-(4-methoxyphenyl)-1-ethenyl]benzoate

C₂₁H₂₃NO₄

C₁₇H₁₅NO₄

C₄₉H₅₂N₅O₅⁽¹⁺⁾*Cl^(1-)