Ethyl 2-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetate

Base Information

Chemical Name:Ethyl 2-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetate
CAS No.:1198615-70-1
Molecular Formula:C16H25BO5
Molecular Weight:290.167
Hs Code.:2934999090
DSSTox Substance ID:DTXSID80682242
Mol file:1198615-70-1.mol

Synonyms:1198615-70-1;Ethyl 2-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetate;(3-ethoxycarbonylmethyl)phenylboronic acid, pinacol ester;ethyl 2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetate;(3-ETHOXYCARBONYLMETHYLPHENYL)BORONIC ACID, PINACOL ESTER;(3-Ethoxycarbonylmethyl)phenylboronic acid pinacol ester;(3-(2-ETHOXY-2-OXOETHYL)PHENYL)BORONIC ACID PINACOL ESTER;ethyl [3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetate;SCHEMBL1238039;DTXSID80682242;AMY22168;YXB61570;MFCD08704682;AKOS015999485;Ethyl2-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetate;AS-48250;CS-0041133;FT-0752185;F30014;[3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-acetic acid ethyl ester;Benzeneacetic acid, 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, ethyl ester

Suppliers and Price of Ethyl 2-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetate

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
(3-Ethoxycarbonylmethyl)phenylboronicAcid,PinacolEster
250mg
$ 75.00

Crysdot
Ethyl2-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetate 97%
10g
$ 574.00

Crysdot
Ethyl2-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetate 97%
1g
$ 99.00

Crysdot
Ethyl2-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetate 97%
5g
$ 327.00

ChemScene
Ethyl2-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetate >97.0%
5g
$ 304.00

ChemScene
Ethyl2-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetate >97.0%
1g
$ 98.00

Chemenu
Ethyl2-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetate 96%
1g
$ 62.00

Chemenu
Ethyl2-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetate 96%
5g
$ 215.00

Apolloscientific
(3-Ethoxycarbonylmethyl)phenylboronic acid, pinacol ester 96%
1g
$ 203.00

Apolloscientific
(3-Ethoxycarbonylmethyl)phenylboronic acid, pinacol ester 96%
250mg
$ 122.00

Total 20 raw suppliers

Chemical Property of Ethyl 2-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetate

Chemical Property:

Boiling Point:386.4±25.0 °C(Predicted)
PSA：44.76000
Density:1.06±0.1 g/cm3(Predicted)
LogP:2.09140
Storage Temp.:Room temperature.
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:290.1689394
Heavy Atom Count:21
Complexity:365

Purity/Quality:

97% ^*data from raw suppliers

(3-Ethoxycarbonylmethyl)phenylboronicAcid,PinacolEster ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)CC(=O)OCC
Uses (3-Ethoxycarbonylmethyl)phenylboronic Acid, Pinacol Ester acts as a reagent in the identification of a novel class of autotaxin inhibitors through cross-screening.

Technology Process of Ethyl 2-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetate

There total 3 articles about Ethyl 2-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)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: 89.0%

: 14062-30-7
ethyl 2-(3-bromophenyl)acetate

: 73183-34-3
bis(pinacol)diborane

: 1198615-70-1
ethyl 2-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetate

Guidance literature:: With potassium acetate; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; In 1,4-dioxane; at 20 - 80 ℃; for 5h; Inert atmosphere;

Reference yield: 65.0%

: [3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-acetic acid

: 75-03-6
ethyl iodide

: 1198615-70-1
ethyl 2-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetate

Guidance literature:: With caesium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 16h;

Reference yield:

: 1878-67-7
3-Bromophenylacetic acid

: 1198615-70-1
ethyl 2-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetate

Guidance literature:: Multi-step reaction with 2 steps

1: thionyl chloride

2: (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium acetate / 1,4-dioxane / 80 °C

With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; thionyl chloride; potassium acetate; In 1,4-dioxane;
DOI:10.1016/j.bmcl.2011.01.024