Boronic acid, [4-[2-[(methylsulfonyl)amino]ethyl]phenyl]-

Base Information

Chemical Name:Boronic acid, [4-[2-[(methylsulfonyl)amino]ethyl]phenyl]-
CAS No.:375346-00-2
Molecular Formula:C9H14BNO4S
Molecular Weight:243.091
Hs Code.:
DSSTox Substance ID:DTXSID50471408
Wikidata:Q82299910
Mol file:375346-00-2.mol

Synonyms:375346-00-2;(4-(2-(methylsulfonamido)ethyl)phenyl)boronic acid;[4-(2-methanesulfonamidoethyl)phenyl]boronic Acid;Boronic acid, [4-[2-[(methylsulfonyl)amino]ethyl]phenyl]-;SCHEMBL5640391;DTXSID50471408

Suppliers and Price of Boronic acid, [4-[2-[(methylsulfonyl)amino]ethyl]phenyl]-

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Total 1 raw suppliers

Chemical Property of Boronic acid, [4-[2-[(methylsulfonyl)amino]ethyl]phenyl]-

Chemical Property:

PSA：95.01000
LogP:-0.07020
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:243.0736593
Heavy Atom Count:16
Complexity:293

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:B(C1=CC=C(C=C1)CCNS(=O)(=O)C)(O)O

Technology Process of Boronic acid, [4-[2-[(methylsulfonyl)amino]ethyl]phenyl]-

There total 6 articles about Boronic acid, [4-[2-[(methylsulfonyl)amino]ethyl]phenyl]- 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: 84.0%

: 375345-99-6
N-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-phenyl]ethyl]methanesulfonamide

: 375346-00-2
[4-[2-[(methylsulfonyl)amino]ethyl]phenyl]boronic acid

Guidance literature:: N-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-phenyl]ethyl]methanesulfonamide; With hydrogen bromide; In water; at 85 ℃; for 11h; Inert atmosphere;

With sodium hydroxide; In water; pH=10.8; Inert atmosphere;
DOI:10.1021/op060180i

Reference yield:

: 353235-93-5
N-(2-(4-iodophenyl)ethyl)-N-(methylsulfonyl)amine

: 375346-00-2
[4-[2-[(methylsulfonyl)amino]ethyl]phenyl]boronic acid

Guidance literature:: Multi-step reaction with 2 steps

1.1: triethylamine / acetonitrile / 4.25 h / 14 - 30 °C / Inert atmosphere

1.2: 24 h / 75 °C / Inert atmosphere

2.1: hydrogen bromide / water / 11 h / 85 °C / Inert atmosphere

2.2: pH 10.8 / Inert atmosphere

With hydrogen bromide; triethylamine; In water; acetonitrile;
DOI:10.1021/op060180i

Reference yield:

: 33893-36-6
N-(methylsulfonyl)(2-phenylethyl)amine

: 375346-00-2
[4-[2-[(methylsulfonyl)amino]ethyl]phenyl]boronic acid

Guidance literature:: Multi-step reaction with 5 steps

1: sulfuric acid; iodine; acetic acid; periodic acid / water / 3 h / 20 - 75 °C

2: dmap / dichloromethane / 20 °C

3: triethylamine / 1,1'-bis(diphenylphosphino) ferrocene-dichloropalladium (II)-CH₂Cl₂ complex / acetonitrile / 8 h / 70 - 74 °C

4: trifluoroacetic acid / dichloromethane / 18 h / 20 °C

5: water; acetone / 20 °C

With dmap; sulfuric acid; iodine; acetic acid; periodic acid; triethylamine; trifluoroacetic acid; 1,1'-bis(diphenylphosphino) ferrocene-dichloropalladium (II)-CH₂Cl₂ complex; In dichloromethane; water; acetone; acetonitrile;