Dibutyl ((phenylthio)methyl)boronate

Base Information

• Chemical Name: Dibutyl ((phenylthio)methyl)boronate
• CAS No.: 70558-00-8
• Molecular Formula: C15H25BO2S
• DSSTox Substance ID: DTXSID701230178
• Mol file: 70558-00-8.mol

Synonyms:70558-00-8;Dibutyl ((phenylthio)methyl)boronate;DTXSID701230178;Boronic acid, [(phenylthio)methyl]-, dibutyl ester

Chemical Property of Dibutyl ((phenylthio)methyl)boronate

Chemical Property:

• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 11
• Exact Mass: 280.1668314
• Heavy Atom Count: 19
• Complexity: 189

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: B(CSC1=CC=CC=C1)(OCCCC)OCCCC

Technology Process of Dibutyl ((phenylthio)methyl)boronate

There total 1 articles about Dibutyl ((phenylthio)methyl)boronate 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:

(phenylthio)methaneboronic acid (67975-88-6) + butan-1-ol (71-36-3) → phenylsulfanylmethyl-boronic acid dibutyl ester (70558-00-8)

Guidance literature:

In benzene; Heating;

DOI:10.1016/S0022-328X(00)81090-6

Reference yield:

phenylsulfanylmethyl-boronic acid dibutyl ester (70558-00-8) + methyl iodide (74-88-4) → Di-n-butyl-iodmethanboronat (13251-29-1)

Guidance literature:

With sodium iodide; In acetonitrile;

DOI:10.1016/S0022-328X(00)81090-6

upstream raw materials:

(phenylthio)methaneboronic acid

butan-1-ol

Downstream raw materials:

Di-n-butyl-iodmethanboronat