tert-Butyl 2-(3-formylphenoxy)acetate

Base Information

• Chemical Name: tert-Butyl 2-(3-formylphenoxy)acetate
• CAS No.: 147593-90-6
• Molecular Formula: C13H16O4
• Molecular Weight: 236.268
• Hs Code.: 2918990090
• DSSTox Substance ID: DTXSID90566281
• Wikidata: Q82451833
• Mol file: 147593-90-6.mol

Synonyms:tert-Butyl 2-(3-formylphenoxy)acetate;147593-90-6;Acetic acid, (3-formylphenoxy)-, 1,1-dimethylethyl ester;tert-Butyl (3-formylphenoxy)acetate;tert-Butyl2-(3-formylphenoxy)acetate;SCHEMBL528101;DTXSID90566281;IOHGZBLANANFDS-UHFFFAOYSA-N;Acetic acid, 2-(3-formylphenoxy)-, 1,1-dimethylethyl ester;AKOS016008231;SS-5168;(3-Formyl-phenoxy)-acetic acid tert-butyl ester;A1-06308

Chemical Property of tert-Butyl 2-(3-formylphenoxy)acetate

Chemical Property:

• Boiling Point: 337.7±17.0 °C(Predicted)
• PSA: 52.60000
• Density: 1.118±0.06 g/cm3(Predicted)
• LogP: 2.21960
• Storage Temp.: 2-8°C
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 236.10485899
• Heavy Atom Count: 17
• Complexity: 267

Purity/Quality:

98%min ^*data from raw suppliers

tert-Butyl 2-(3-formylphenoxy)acetate 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)COC1=CC=CC(=C1)C=O

Technology Process of tert-Butyl 2-(3-formylphenoxy)acetate

There total 3 articles about tert-Butyl 2-(3-formylphenoxy)acetate 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: 100.0%

→ 3-(tert-butoxycarbonylmethyleneoxy)benzaldehyde (147593-90-6)

Guidance literature:

Reference yield: 97.0%

bromoacetic acid tert-butyl ester (5292-43-3) + meta-hydroxybenzaldehyde (100-83-4) → 3-(tert-butoxycarbonylmethyleneoxy)benzaldehyde (147593-90-6)

Guidance literature:

With tetrabutylammomium bromide; sodium hydroxide; In dichloromethane; water; at 20 ℃; for 16h;

DOI:10.1002/chem.200902161

Reference yield:

→ (3-Hydroxyimino-methyl)-phenoxy)-acetic acid tert-butyl ester + 3-(tert-butoxycarbonylmethyleneoxy)benzaldehyde (147593-90-6)

Guidance literature:

upstream raw materials:

bromoacetic acid tert-butyl ester

meta-hydroxybenzaldehyde

Downstream raw materials:

{3-[5-oxo-3,4-diphenyl-1,5-dihydropyrrol-(2Z)-ylidenemethyl]phenoxy}acetic acid