2-Phenylacetylene-1-boronic acid diisopropyl ester

Base Information

Chemical Name:2-Phenylacetylene-1-boronic acid diisopropyl ester
CAS No.:121021-26-9
Molecular Formula:C14H19BO2
Molecular Weight:230.115
Hs Code.:2931900090
DSSTox Substance ID:DTXSID30448870
Nikkaji Number:J1.299.579B
Wikidata:Q82268055
Mol file:121021-26-9.mol

Synonyms:121021-26-9;Diisopropyl (phenylethynyl)boronate;2-PHENYLACETYLENE-1-BORONIC ACID DIISOPROPYL ESTER;2-phenylethynyl-di(propan-2-yloxy)borane;2-Phenylacetylene-1-boronic acid diisopropylester;Phenylethynyldiisopropoxyborane;MFCD08741440;Dipropan-2-yl (phenylethynyl)boronate;Boronic acid, (phenylethynyl)-, bis(1-methylethyl) ester;starbld0018810;SCHEMBL5953241;DTXSID30448870;BBL101315;STL555111;AKOS005257953;bis(propan-2-yl) (2-phenylethynyl)boronate;2-Phenylacetylene-1-boronic acid, diisopropyl ester

Suppliers and Price of 2-Phenylacetylene-1-boronic acid diisopropyl ester

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

American Custom Chemicals Corporation
2-PHENYLACETYLENE-1-BORONIC ACID, DIISOPROPYL ESTER 95.00%
5G
$ 1079.35

Total 6 raw suppliers

Chemical Property of 2-Phenylacetylene-1-boronic acid diisopropyl ester

Chemical Property:

Boiling Point:80 °C(Press: 0.3 Torr)
PSA：18.46000
Density:0.95±0.1 g/cm3(Predicted)
LogP:2.91550
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:6
Exact Mass:230.1478100
Heavy Atom Count:17
Complexity:258

Purity/Quality:

97% ^*data from raw suppliers

2-PHENYLACETYLENE-1-BORONIC ACID, DIISOPROPYL ESTER 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:B(C#CC1=CC=CC=C1)(OC(C)C)OC(C)C
Uses 2-Phenylacetylene-1-boronic acid diisopropylester is a useful reactant for the synthesis of glycoconjugates with minimal protecting groups.

Technology Process of 2-Phenylacetylene-1-boronic acid diisopropyl ester

There total 2 articles about 2-Phenylacetylene-1-boronic acid diisopropyl ester 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: 65.0%

: 5419-55-6
Triisopropyl borate

: 536-74-3
phenylacetylene

: 121021-26-9
2-phenylethynyl boronic acid diisopropyl ester

Guidance literature:: phenylacetylene; With n-butyllithium; In diethyl ether; hexane; at -78 ℃; for 0.5h; Inert atmosphere;

Triisopropyl borate; In diethyl ether; hexane; at -78 ℃; for 1h; Inert atmosphere;

With hydrogenchloride; In diethyl ether; hexane; at -78 - 20 ℃; for 1h; Inert atmosphere;
DOI:10.1021/acs.orglett.9b00931

Reference yield:

: 5419-55-6
Triisopropyl borate

: 4440-01-1
lithium phenylacetylide

: 121021-26-9
2-phenylethynyl boronic acid diisopropyl ester

Guidance literature:: lithium phenylacetylide; With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; for 1h; Inert atmosphere; Schlenk technique;

Triisopropyl borate; In tetrahydrofuran; hexane; at -78 ℃; for 2h; Inert atmosphere; Schlenk technique;

With hydrogenchloride; In tetrahydrofuran; diethyl ether; hexane; for 0.5h; Inert atmosphere; Schlenk technique;
DOI:10.1002/chem.202101901

Reference yield: 100.0%

: 455-13-0
4-Iodobenzotrifluoride

: 104-15-4
toluene-4-sulfonic acid

: 121021-26-9
2-phenylethynyl boronic acid diisopropyl ester

: (phenylethynyl)(4-(trifluoromethyl)phenyl)iodonium tosylate

Guidance literature:: 4-Iodobenzotrifluoride; toluene-4-sulfonic acid; With 3-chloro-benzenecarboperoxoic acid; In dichloromethane; 2,2,2-trifluoroethanol; at 20 ℃; for 0.5h;

2-phenylethynyl boronic acid diisopropyl ester; In dichloromethane; 2,2,2-trifluoroethanol; at 20 ℃; for 0.5h;
DOI:10.1002/chem.201202977