(E)-(3-Oxoprop-1-en-1-yl)boronic acid

Base Information

• Chemical Name: (E)-(3-Oxoprop-1-en-1-yl)boronic acid
• CAS No.: 535967-09-0
• Molecular Formula: C₃H₅BO₃
• Molecular Weight: 99.8819
• DSSTox Substance ID: DTXSID50456816
• Nikkaji Number: J1.866.123C
• Mol file: 535967-09-0.mol

Synonyms:(E)-(3-Oxoprop-1-en-1-yl)boronic acid;161091-04-9;[(E)-3-oxoprop-1-enyl]boronic Acid;535967-09-0;(E)-3-(Dihydroxyboryl)propenal;DTXSID50456816;(3-Oxoprop-1-en-1-yl)boronicacid;MFCD22191935;(3-Oxoprop-1-en-1-yl)boronic acid;[(1E)-3-Oxoprop-1-en-1-yl]boronic acid;CS-0098418;A50009;(1E)-3-OXO-1-PROPEN-1-YL]-BORONIC ACID

Chemical Property of (E)-(3-Oxoprop-1-en-1-yl)boronic acid

Chemical Property:

• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 100.0331742
• Heavy Atom Count: 7
• Complexity: 78.2

Purity/Quality:

95%-98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: B(C=CC=O)(O)O
• Isomeric SMILES: B(/C=C/C=O)(O)O

Technology Process of (E)-(3-Oxoprop-1-en-1-yl)boronic acid

There total 1 articles about (E)-(3-Oxoprop-1-en-1-yl)boronic 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:

Propiolaldehyde diethyl acetal (10160-87-9) → C3H5BO3 (535967-09-0)

Guidance literature:

Propiolaldehyde diethyl acetal; With dimethylsulfide borane complex; (+)-α-pinene; In tetrahydrofuran; at 0 - 23 ℃; Inert atmosphere;

With acetaldehyde; In tetrahydrofuran; at 0 - 45 ℃; Inert atmosphere;

With water; In tetrahydrofuran; at 0 - 23 ℃; Inert atmosphere;

DOI:10.1021/ja8063759

upstream raw materials:

Propiolaldehyde diethyl acetal