t-Butyl 3-iodobenzoate

Base Information

• Chemical Name: t-Butyl 3-iodobenzoate
• CAS No.: 173406-17-2
• Molecular Formula: C11H13IO2
• Molecular Weight: 304.128
• Hs Code.: 2916399090
• Mol file: 173406-17-2.mol

Synonyms:t-Butyl 3-iodobenzoate;tert-butyl-3-iodobenzoate;tert-butyl m-iodobenzoate;3-iodobenzoic acid t-butyl ester;1,1-dimethylethyl 3-iodobenzoate;3-iodobenzoic acid tert-butyl ester;

Chemical Property of t-Butyl 3-iodobenzoate

Chemical Property:

• Boiling Point: 316.8±25.0 °C(Predicted)
• PSA: 26.30000
• Density: 1.528±0.06 g/cm3(Predicted)
• LogP: 3.24650
• Storage Temp.: 2-8°C(protect from light)

Purity/Quality:

99% ^*data from raw suppliers

tert-Butyl3-Iodobenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: tert-Butyl 3-iodobenzoate is a useful reactant for the synthesis of (aryl)cycloalkanones.

Technology Process of t-Butyl 3-iodobenzoate

There total 4 articles about t-Butyl 3-iodobenzoate 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: 94.67%

di-tert-butyl dicarbonate (24424-99-5) + 3-Iodobenzoic acid (618-51-9) → tert-butyl 3-iodobenzoate (173406-17-2)

Guidance literature:

With dmap; In tetrahydrofuran; at 40 ℃; for 15.33h;

Reference yield: 92.0%

tert-butyl alcohol (75-65-0) + 3-Iodobenzoic acid (618-51-9) → tert-butyl 3-iodobenzoate (173406-17-2)

Guidance literature:

3-Iodobenzoic acid; With 1,1'-carbonyldiimidazole; In N,N-dimethyl-formamide; at 40 ℃; for 1h;

tert-butyl alcohol; With 1,8-diazabicyclo[5.4.0]undec-7-ene; In N,N-dimethyl-formamide; at 40 ℃;

Reference yield: 68.0%

→ tert-butyl 6-bromohexanoate (65868-63-5) + tert-butyl 3-iodobenzoate (173406-17-2)

Guidance literature:

upstream raw materials:

tert-butyl alcohol

3-Iodobenzoic acid

isobutene

di-tert-butyl dicarbonate

Downstream raw materials:

1,1-dimethylethyl 3-(4-amino-6-methyl-1H-indazol-1-yl)benzoate

tert-butyl m-(hydroxy(phenyl)methyl)benzoate

benzoic acid tert-butyl ester

tert-butyl m-methylbenzoate

Refernces

• 1、 Zoller, Ben,Zapp, Josef,Huy, Peter H.. "Rapid Organocatalytic Formation of Carbon Monoxide: Application towards Carbonylative Cross Couplings". supporting information. p. 9632 - 9638. Retrieved 2020/07/13.
• 2、 -. "KINASE INHIBITORS". Paragraph 0-453. . Retrieved 2013/09/26.