Tert-butyl 2-iodobenzoate

Base Information

Chemical Name:Tert-butyl 2-iodobenzoate
CAS No.:110349-26-3
Molecular Formula:C11H13IO2
Molecular Weight:304.128
Hs Code.:2916399090
DSSTox Substance ID:DTXSID80465936
Nikkaji Number:J1.106.344F
Wikidata:Q82292250
Mol file:110349-26-3.mol

Synonyms:Tert-butyl 2-iodobenzoate;110349-26-3;T-BUTYL 2-IODOBENZOATE;Benzoic acid, 2-iodo-, 1,1-dimethylethyl ester;t-butyl o-iodo-benzoate;Tert-butyl2-iodobenzoate;SCHEMBL277247;DTXSID80465936;WLZ3071;DKOWOQYYXGDSMO-UHFFFAOYSA-N;MFCD11044440;AKOS013210649;AS-58547;CS-0212490;FT-0764352;W19040;A894910

Suppliers and Price of Tert-butyl 2-iodobenzoate

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

Usbiological
t-Butyl 2-iodobenzoate
100mg
$ 305.00

Matrix Scientific
tert-Butyl 2-iodobenzoate 95+%
1g
$ 341.00

Crysdot
tert-Butyl2-iodobenzoate 95+%
10g
$ 357.00

American Custom Chemicals Corporation
2-IODOBENZOIC ACID, TERT-BUTYL ESTER 95.00%
5G
$ 1061.16

AK Scientific
t-Butyl2-iodobenzoate
5g
$ 317.00

Total 18 raw suppliers

Chemical Property of Tert-butyl 2-iodobenzoate

Chemical Property:

Boiling Point:142 °C(Press: 1 Torr)
PSA：26.30000
Density:1.528±0.06 g/cm3(Predicted)
LogP:3.24650
XLogP3:3.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:303.99603
Heavy Atom Count:14
Complexity:208

Purity/Quality:

99%, ^*data from raw suppliers

t-Butyl 2-iodobenzoate ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C)OC(=O)C1=CC=CC=C1I

Technology Process of Tert-butyl 2-iodobenzoate

There total 6 articles about Tert-butyl 2-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: 92.0%

: 774-65-2
benzoic acid tert-butyl ester

: 110349-26-3
tert-butyl 2-iodobenzoate

Guidance literature:: benzoic acid tert-butyl ester; With (2,2,6,6-tetramethylpiperidido)₂Ag(CN)Li₂; In tetrahydrofuran; at 0 ℃; for 2h;

With iodine; In tetrahydrofuran; at 20 ℃; for 3h; chemoselective reaction;
DOI:10.1039/c9sc06060j

Reference yield: 87.0%

: 88-67-5
2-Iodobenzoic acid

: 75-65-0
tert-butyl alcohol

: 110349-26-3
tert-butyl 2-iodobenzoate

Guidance literature:: 2-Iodobenzoic acid; With dmap; dicyclohexyl-carbodiimide; In dichloromethane; at 0 ℃; for 0.166667h;

tert-butyl alcohol; In dichloromethane; at 20 ℃;
DOI:10.1016/j.tetlet.2016.08.086