3-(3-boronophenyl)propanoic Acid

Base Information

• Chemical Name: 3-(3-boronophenyl)propanoic Acid
• CAS No.: 693803-17-7
• Molecular Formula: C9H11BO4
• Molecular Weight: 193.995
• Hs Code.: 2931900090
• DSSTox Substance ID: DTXSID80397405
• Wikidata: Q82198709
• Mol file: 693803-17-7.mol

Synonyms:3-(3-boronophenyl)propanoic Acid;693803-17-7;3-(2-CARBOXYETHYL)PHENYLBORONIC ACID;[3-(2-carboxyethyl)phenyl]boronic acid;Benzenepropanoic acid, 3-borono- (9CI);3-[3-(dihydroxyboranyl)phenyl]propanoic acid;3-(3-Boronophenyl)propionic acid;SCHEMBL634209;3-carboxyethylphenylboronic acid;3-(3-boronophenyl)propanoicAcid;DTXSID80397405;JJBQHOJBARDWRZ-UHFFFAOYSA-N;MFCD04115649;AKOS006227626;AB20326;AM87149;3-(3-BORONOPHENYL)PROPIONICACID;AS-55284;CS-0060386;FT-0688857;I12498;EN300-7390266;A866850;[3-(2-carboxyethyl)phenyl]boronic acid, AldrichCPR

Chemical Property of 3-(3-boronophenyl)propanoic Acid

Chemical Property:

• Vapor Pressure: 2.44E-08mmHg at 25°C
• Melting Point: 166-169°C
• Refractive Index: 1.56
• Boiling Point: 435.1 °C at 760 mmHg
• Flash Point: 216.9 °C
• PSA: 77.76000
• Density: 1.28 g/cm³
• LogP: -0.61640
• Storage Temp.: 2-8°C
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 194.0750390
• Heavy Atom Count: 14
• Complexity: 195

Purity/Quality:

97% ^*data from raw suppliers

3-(2-Carboxyethyl)phenylboronicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 36/37/38-36-22
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B(C1=CC(=CC=C1)CCC(=O)O)(O)O

Technology Process of 3-(3-boronophenyl)propanoic Acid

There total 1 articles about 3-(3-boronophenyl)propanoic 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: 90.0%

[3-(2-carboxyvinyl)phenyl]boronic acid (216144-91-1) → [3-(2-carboxyethyl)phenyl]boronic acid (693803-17-7)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In ethanol; at 20 ℃; for 5h; under 1086.04 Torr;

DOI:10.1002/cmdc.201700788

Reference yield: 83.0%

[3-(2-carboxyethyl)phenyl]boronic acid (693803-17-7) + 1-(1H-indol-5-yl)-N-methylmethanamine (709649-72-9) → (3-(3-(((1H-indol-5-yl)methyl)(methyl)amino)-3-oxopropyl)phenyl)boronic acid

Guidance literature:

[3-(2-carboxyethyl)phenyl]boronic acid; With benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate; In N,N-dimethyl-formamide; at 23 ℃; for 0.0833333h;

1-(1H-indol-5-yl)-N-methylmethanamine; In N,N-dimethyl-formamide; at 23 ℃;

DOI:10.1021/acsmedchemlett.0c00011

Reference yield: 78.0%

6-bromophthalide (19477-73-7) + [3-(2-carboxyethyl)phenyl]boronic acid (693803-17-7) → 3-(3-(3-oxo-1,3-dihydroisobenzofuran-5-yl)phenyl)propanoic acid

Guidance literature:

With potassium phosphate; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In 1,4-dioxane; water; at 85 ℃; for 4h; Inert atmosphere; Sealed tube;

DOI:10.1016/j.tet.2017.12.053

upstream raw materials:

[3-(2-carboxyvinyl)phenyl]boronic acid

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