1,3,2-Dioxaborolane, 2-[2-[(ethylthio)methyl]phenyl]-4,4,5,5-tetramethyl-

Base Information

Chemical Name:1,3,2-Dioxaborolane, 2-[2-[(ethylthio)methyl]phenyl]-4,4,5,5-tetramethyl-
CAS No.:121114-64-5
Molecular Formula:C₁₅H₂₃BO₂S
Molecular Weight:278.223
Hs Code.:2931900090
DSSTox Substance ID:DTXSID80477372
Nikkaji Number:J1.701.443I
Wikidata:Q82309848
Mol file:121114-64-5.mol

Synonyms:121114-64-5;2-(Ethylthiomethyl)phenylboronic acid, pinacol ester;2-(2-((Ethylthio)methyl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;1,3,2-Dioxaborolane, 2-[2-[(ethylthio)methyl]phenyl]-4,4,5,5-tetramethyl-;2-[2-(ethylsulfanylmethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-{2-[(Ethylsulfanyl)methyl]phenyl}-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(2-(Ethylthiomethyl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;C15H23BO2S;DTXSID80477372;WEA11464;MFCD18311857;AKOS017557533;AT17232;BS-25029;CS-0176689;2-(Ethylthiomethyl)phenylboronic acid pinacol ester

Suppliers and Price of 1,3,2-Dioxaborolane, 2-[2-[(ethylthio)methyl]phenyl]-4,4,5,5-tetramethyl-

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
2-(Ethylthiomethyl)phenylboronicacid,pinacolester
100mg
$ 75.00

Crysdot
2-(2-((Ethylthio)methyl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane 95+%
1g
$ 330.00

AK Scientific
2-(Ethylthiomethyl)phenylboronicacidpinacolester
250mg
$ 264.00

Total 8 raw suppliers

Chemical Property of 1,3,2-Dioxaborolane, 2-[2-[(ethylthio)methyl]phenyl]-4,4,5,5-tetramethyl-

Chemical Property:

PSA：43.76000
LogP:3.23890
Storage Temp.:Refrigerated.
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:278.1511813
Heavy Atom Count:19
Complexity:291

Purity/Quality:

98%min ^*data from raw suppliers

2-(Ethylthiomethyl)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=C2CSCC

Technology Process of 1,3,2-Dioxaborolane, 2-[2-[(ethylthio)methyl]phenyl]-4,4,5,5-tetramethyl-

There total 2 articles about 1,3,2-Dioxaborolane, 2-[2-[(ethylthio)methyl]phenyl]-4,4,5,5-tetramethyl- 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: 54.0%

: 75-08-1
ethanethiol

: 377780-72-8
2-(2-(bromomethyl)phenyl)-4,4,5,5,-tetramethyl-1,3,2-dioxaborolane

: 121114-64-5
2-(2-ethylsulfanylmethyl-phenyl)-4,4,5,5-tetramethyl-[1,3,2]dioxaborolane

Guidance literature:: With sodium hydroxide; In ethanol; soln. ethanethiol and NaOH in EtOH was added dropwise to soln. (2-bromomethylphenyl)boronic acid pinacol ester in EtOH and stirreed for 30 min at room temp.; solvent was evapd., residue was purified by column chromy. on silica (hexane:EtOAc 20:1);
DOI:10.1021/ic034529j

Reference yield: 37.0%

: 76-09-5
2,3-dimethyl-2,3-butane diol

: 121-43-7,63156-11-6
Trimethyl borate

: 99180-11-7
2-<(ethylthio)methyl>bromobenzene

: 121114-64-5
2-(2-ethylsulfanylmethyl-phenyl)-4,4,5,5-tetramethyl-[1,3,2]dioxaborolane

Guidance literature:: With n-butyllithium; In diethyl ether; hexane; toluene; N2 atmosphere, addn. of n-BuLi in hexane to BrC6H4CH2SEt in ether (-78°C), warming to room temp., addn. of B(OMe)3 in ether (-78°C), warming to room temp., addn. of aq. H2SO4, evapn. of ether phase, addn. of (HOC(CH3)2)2 in toluene (2 h); fractional distn.; elem. anal.;
DOI:10.1246/bcsj.61.1191