2-Formylphenyl 2,2-dimethylpropanoate

Base Information

• Chemical Name: 2-Formylphenyl 2,2-dimethylpropanoate
• CAS No.: 19820-46-3
• Molecular Formula: C12H14O3
• Molecular Weight: 206.23800
• DSSTox Substance ID: DTXSID00567840
• Nikkaji Number: J744.552K
• Wikidata: Q82453868
• Mol file: 19820-46-3.mol

Synonyms:2-Formylphenyl 2,2-dimethylpropanoate;19820-46-3;SCHEMBL1199476;DTXSID00567840

Chemical Property of 2-Formylphenyl 2,2-dimethylpropanoate

Chemical Property:

• PSA: 43.37000
• LogP: 2.45060
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 206.094294304
• Heavy Atom Count: 15
• Complexity: 240

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C(=O)OC1=CC=CC=C1C=O

Technology Process of 2-Formylphenyl 2,2-dimethylpropanoate

There total 6 articles about 2-Formylphenyl 2,2-dimethylpropanoate 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: 92.0%

pivaloyl chloride (3282-30-2) + salicylaldehyde (90-02-8) → 2-formylphenyl 2,2-dimethylpropanoate (19820-46-3)

Guidance literature:

With pyridine; dmap; In dichloromethane; for 6h; Heating;

DOI:10.1002/chem.200600332

Reference yield: 92.0%

pivaloyl chloride (3282-30-2) + benzaldehyde (100-52-7) → 2-formylphenyl 2,2-dimethylpropanoate (19820-46-3)

Guidance literature:

With pyridine; dmap; In dichloromethane; for 6h; Heating;

DOI:10.1002/chem.200601017

Reference yield: 83.0%

2-bromo-1-pivaloyloxybenzene (106141-07-5) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 2-formylphenyl 2,2-dimethylpropanoate (19820-46-3)

Guidance literature:

2-bromo-1-pivaloyloxybenzene; With magnesium; lithium chloride; In tetrahydrofuran; at -20 ℃; for 0.333333h; Inert atmosphere;

N,N-dimethyl-formamide; In tetrahydrofuran; at -20 - 25 ℃; Inert atmosphere;

DOI:10.1002/chem.200900575

upstream raw materials:

pivaloyl chloride

salicylaldehyde, thallium(I) salt

benzaldehyde

salicylaldehyde

Downstream raw materials:

2,2-Dimethyl-propionic acid 2-(1,6-dihydroxy-3-methylene-heptyl)-phenyl ester

2,2-Dimethyl-propionic acid 2-(3-phenyl-3-trimethylsilanyloxy-oxetan-2-yl)-phenyl ester

2,2-Dimethyl-propionic acid 2-(3-isopropyl-3-trimethylsilanyloxy-oxetan-2-yl)-phenyl ester

2,2-Dimethyl-propionic acid 2-(3-tert-butyl-3-trimethylsilanyloxy-oxetan-2-yl)-phenyl ester