3-Aminocarbonylphenylboronic acid

Base Information

• Chemical Name: 3-Aminocarbonylphenylboronic acid
• CAS No.: 351422-73-6
• Molecular Formula: C₇H₈BNO₃
• Molecular Weight: 164.956
• Hs Code.: 29310095
• European Community (EC) Number: 626-786-0
• DSSTox Substance ID: DTXSID90372263
• Nikkaji Number: J2.584.586B
• Wikidata: Q72434129
• Mol file: 351422-73-6.mol

Synonyms:3-Aminocarbonylphenylboronic acid;351422-73-6;(3-carbamoylphenyl)boronic Acid;3-carbamoylphenylboronic acid;benzamide-3-boronic acid;3-Aminocarbonyphenylboronic acid;3-carbamoylbenzeneboronic acid;3-(aminocarbonyl)phenylboronic acid;MFCD03411948;Boronic acid, [3-(aminocarbonyl)phenyl]-;3-Aminocarbonyiphenylboronic acid;3-Carbamoylphenylboronicacid;3-Aminocarbonylpenylboronic acid;3-(Dihydroxyboryl)benzamide;SCHEMBL5136;(3-carbamoylphenyl)boronicAcid;3-aminoformylphenylboronic acid;3-carbamoylphenyl boronic acid;3-carbamoyl-phenyl boronic acid;(3-carbamoyl phenyl)boronic acid;DTXSID90372263;3- carbamoyl benzene boronic acid;3-aminocarbonyl-phenylboronic acid;3-aminocarbonylphenyl-boronic acid;WDGWHKRJEBENCE-UHFFFAOYSA-N;3-aminocarbonylbenzene boronic acid;(3-aminocarbonyl)phenylboronic acid;BCP23051;STR07124;(3-aminocarbonylphenyl)-boronic acid;3-(aminocarbonyl)phenyl boronic acid;BBL103833;STL557643;[3-(aminocarbonyl)phenyl]boronic acid;3-(aminocarbonyl)-phenyl boronic acid;AKOS005146516;AB14311;CS-W017897;[3-(aminocarbonyl)-phenyl]boronic acid;AC-24805;SY020528;(3-AMINOCARBONYLPHENYL)BORONIC ACID;A6171;AM20050283;C2992;FT-0605412;EN300-316756;Q-102193;Z1255365365

Chemical Property of 3-Aminocarbonylphenylboronic acid

Chemical Property:

• Vapor Pressure: 2.16E-07mmHg at 25°C
• Melting Point: 232-235 °C
• Refractive Index: 1.585
• Boiling Point: 408.1 °C at 760 mmHg
• PKA: 7.84±0.10(Predicted)
• Flash Point: 200.6 °C
• PSA: 83.55000
• Density: 1.32 g/cm³
• LogP: -0.83440
• Storage Temp.: Keep Cold
• Solubility.: soluble in Methanol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 165.0597233
• Heavy Atom Count: 12
• Complexity: 174

Purity/Quality:

99% ^*data from raw suppliers

3-Aminocarbonylphenylboronic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,Xn
• Hazard Codes: Xi,Xn
• Statements: 22-36/37/38-20/21/22
• Safety Statements: 26-36-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B(C1=CC(=CC=C1)C(=O)N)(O)O
• Uses: Reactant involved in the synthesis of a variety of inhibitors including:Orally active phosphodiesterase 10A inhibitorsPyrimidine derivatives as TpI2 kinase inhibitorsPeptidomimetic inhibitors of STAT3 proteinReactant involved in:Oxidative cross-coupling with mercaptoacetylenesTrifluoromethylation via a Collidine trifluoromethylating agentSuzuki cross-coupling reactions Reactant involved in the synthesis of a variety of inhibitors including:? ;Orally active phosphodiesterase 10A inhibitors1? ;Pyrimidine derivatives as TpI2 kinase inhibitors2? ;Peptidomimetic inhibitors of STAT3 protein3Reactant involved in:? ;Oxidative cross-coupling with mercaptoacetylenes4? ;Trifluoromethylation via a Collidine trifluoromethylating agent5? ;Suzuki cross-coupling reactions6 suzuki reaction

Technology Process of 3-Aminocarbonylphenylboronic acid

There total 1 articles about 3-Aminocarbonylphenylboronic 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: 69.0%

(3‐cyanophenyl)boronic acid (150255-96-2) → (3-(aminocarbonyl)phenyl)boronic acid (351422-73-6)

Guidance literature:

(3‐cyanophenyl)boronic acid; With potassium hydroxide; In methanol; Reflux;

With hydrogenchloride; In methanol; water; pH=5 - 6;

Reference yield: 50.0%

3-bromo-1-ethyl-1H-pyrrole-2,5-dione (909397-54-2) + (3-(aminocarbonyl)phenyl)boronic acid (351422-73-6) → 3-(1-ethyl-2,5-dioxo-pyrrol-3-yl)benzamide

Guidance literature:

With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; cesium fluoride; In 1,4-dioxane; water; at 70 ℃; for 1h;

DOI:10.1021/jm501660t

Reference yield: 33.0%

2-cyclopropyl-1-(trifluoromethyl)benzo[b]thiophenium triflate (1214756-50-9) + (3-(aminocarbonyl)phenyl)boronic acid (351422-73-6) → 3-trifluoromethylbenzamide (1801-10-1)

Guidance literature:

With 2,4,6-trimethyl-pyridine; copper diacetate; In ethyl acetate; at 20 ℃; for 20h; Inert atmosphere;

DOI:10.1021/acs.orglett.5b00164

upstream raw materials:

(3‐cyanophenyl)boronic acid

Downstream raw materials:

C₁₅H₁₁N₃O₃S₂

C₂₀H₁₃N₃O₃

4-(N-(4-(1-(4-cyanophenyl)piperidin-4-yl)benzyl)-2-(N,4-dimethylphenylsulfonamido)acetamido)-2-hydroxybenzoic acid

3-(1,3,2-dioxaborolan-2-yl)benzamide

Refernces