tert-Butyl 3-iodobenzoate

Base Information

Chemical Name:tert-Butyl 3-iodobenzoate
CAS No.:173406-17-2
Molecular Formula:C11H13IO2
Molecular Weight:304.128
Hs Code.:2916399090
DSSTox Substance ID:DTXSID40593340
Wikidata:Q82487804
Mol file:173406-17-2.mol

Synonyms:tert-Butyl 3-iodobenzoate;173406-17-2;t-Butyl 3-iodobenzoate;C11H13IO2;Benzoic acid, 3-iodo-, 1,1-dimethylethyl ester;3-iodobenzoic acid tert-butyl ester;t-butyl-3-iodobenzoate;tert-Butyl3-iodobenzoate;SCHEMBL1417078;DTXSID40593340;XZUWLKIILSZGIR-UHFFFAOYSA-N;YGA40617;MFCD18837617;AKOS013212032;AS-41938;DA-09307;CS-0102178;A881773

Suppliers and Price of tert-Butyl 3-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

TRC
tert-Butyl3-Iodobenzoate
500mg
$ 200.00

Matrix Scientific
tert-Butyl 3-iodobenzoate 95+%
5g
$ 945.00

Matrix Scientific
tert-Butyl 3-iodobenzoate 95+%
250mg
$ 152.00

Matrix Scientific
tert-Butyl 3-iodobenzoate 95+%
1g
$ 336.00

Crysdot
tert-Butyl3-iodobenzoate 95+%
5g
$ 470.00

Chemenu
tert-Butyl3-iodobenzoate 95%
5g
$ 673.00

American Custom Chemicals Corporation
TERT-BUTYL-3-IODOBENZOATE 95.00%
5MG
$ 498.92

Alichem
tert-Butyl3-iodobenzoate
5g
$ 772.74

AK Scientific
t-Butyl3-iodobenzoate
5g
$ 691.00

Acrotein
tert-Butyl3-iodobenzoate 97%
5g
$ 495.00

Total 17 raw suppliers

Chemical Property of tert-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)
XLogP3:4.4
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

tert-Butyl3-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=C1)I
Uses tert-Butyl 3-iodobenzoate is a useful reactant for the synthesis of (aryl)cycloalkanones.

Technology Process of tert-Butyl 3-iodobenzoate

There total 4 articles about tert-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%

: 24424-99-5
di-tert-butyl dicarbonate

: 618-51-9
3-Iodobenzoic acid

: 173406-17-2
tert-butyl 3-iodobenzoate

Guidance literature:: With dmap; In tetrahydrofuran; at 40 ℃; for 15.33h;

Reference yield: 92.0%

: 75-65-0
tert-butyl alcohol

: 618-51-9
3-Iodobenzoic acid

: 173406-17-2
tert-butyl 3-iodobenzoate

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 ℃;