4-(tert-Butylthio)phenylboronic acid

Base Information

Chemical Name:4-(tert-Butylthio)phenylboronic acid
CAS No.:820972-68-7
Molecular Formula:C₁₀H₁₅BO₂S
Molecular Weight:210.105
Hs Code.:2931900090
DSSTox Substance ID:DTXSID50479323
Nikkaji Number:J2.140.497G
Wikidata:Q82313310
Mol file:820972-68-7.mol

Synonyms:4-(tert-Butylthio)phenylboronic acid;820972-68-7;(4-(tert-Butylthio)phenyl)boronic acid;(4-tert-butylsulfanylphenyl)boronic acid;[4-(tert-butylsulfanyl)phenyl]boronic acid;4-( tert-Butylthio) phenylboronic acid;4-(TERT-BUTYLSULFANYL)PHENYLBORONIC ACID;AMY968;DTXSID50479323;VHB97268;MFCD06801702;(4-(tert-Butylthio)phenyl)boronicacid;AKOS004119275;AB30115;BS-24318;CS-0178650;E83942

Suppliers and Price of 4-(tert-Butylthio)phenylboronic acid

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
4-(tert-Butylthio)phenylboronicAcid
50mg
$ 65.00

ChemSupplyAustralia
4-?(tert-?Butylthio)?phenylboronic acid, 97%
250 mg
$ 101.20

Chemenu
(4-(tert-Butylthio)phenyl)boronicacid 98%
1g
$ 307.00

American Custom Chemicals Corporation
4-(TERT-BUTYLTHIO)PHENYLBORONIC ACID 95.00%
5MG
$ 455.42

AK Scientific
4-(tert-Butylthio)phenylboronicacid
1g
$ 424.00

Total 29 raw suppliers

Chemical Property of 4-(tert-Butylthio)phenylboronic acid

Chemical Property:

Melting Point:168-170 °C(Solv: ethyl ether (60-29-7); hexane (110-54-3))
Boiling Point:352.7±44.0 °C(Predicted)
PKA:8.53±0.17(Predicted)
PSA：65.76000
Density:1.12±0.1 g/cm3(Predicted)
LogP:1.25700
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:210.0885811
Heavy Atom Count:14
Complexity:172

Purity/Quality:

99%, ^*data from raw suppliers

4-(tert-Butylthio)phenylboronicAcid ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:Xi
Statements: 36/37/38
Safety Statements: 26-37

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:B(C1=CC=C(C=C1)SC(C)(C)C)(O)O
Uses 4-(tert-Butylthio)phenylboronic Acid is used in the functionalization of tetrahydronaphtho[2,1-a]azulene photoswitches.

Technology Process of 4-(tert-Butylthio)phenylboronic acid

There total 2 articles about 4-(tert-Butylthio)phenylboronic acid 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%

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

: 25752-90-3
tert-butyl 4-bromophenyl sulfide

: 820972-68-7
4-(tert-butylsulfanyl)phenylboronic acid

Guidance literature:: tert-butyl 4-bromophenyl sulfide; With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; for 0.5h; Inert atmosphere;

Trimethyl borate; In tetrahydrofuran; hexane; at -78 - 23 ℃; Inert atmosphere;

With hydrogenchloride; In tetrahydrofuran; hexane; water; at 23 ℃; for 0.0833333h;
DOI:10.1002/ejoc.201800882

Reference yield: 78.0%

: 25752-90-3
tert-butyl 4-bromophenyl sulfide

: 820972-68-7
4-(tert-butylsulfanyl)phenylboronic acid

Guidance literature:: tert-butyl 4-bromophenyl sulfide; With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; for 5h;

With Trimethyl borate; In tetrahydrofuran; hexane; at -78 - 20 ℃;

With hydrogenchloride; water; In dichloromethane; for 2h;
DOI:10.1021/jo902205p

Reference yield:

: 820972-68-7
4-(tert-butylsulfanyl)phenylboronic acid

: S-(4-{1-[4-(tert-butylthio)phenyl]-1H-1,2,3-triazol-4-yl}phenyl) ethanethioate

: S-(4-{4-[4-(tert-butylthio)-phenyl]-1H-1,2,3-triazol-1-yl}phenyl) ethanethioate

: S,S'-[(1H-1,2,3-triazole-1,4-diyl)bis(4,1-phenylene)] diethanethioate

Guidance literature:: Multi-step reaction with 3 steps

1: sodium azide; copper diacetate / formic acid / 3 h / 60 °C

2: diisopropylamine; copper(l) iodide / tetrahydrofuran / 16 h / 20 °C

3: bismuth(lll) trifluoromethanesulfonate / toluene; acetonitrile / 2 h / 20 °C

With bismuth(lll) trifluoromethanesulfonate; copper(l) iodide; sodium azide; copper diacetate; diisopropylamine; In tetrahydrofuran; formic acid; toluene; acetonitrile;
DOI:10.1002/ejoc.201500420