4-Oxo-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)anilino]butanoic acid

Base Information

• Chemical Name: 4-Oxo-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)anilino]butanoic acid
• CAS No.: 480424-98-4
• Molecular Formula: C16H22BNO5
• Molecular Weight: 319.165
• Hs Code.: 2934999090
• European Community (EC) Number: 622-003-1
• DSSTox Substance ID: DTXSID70370424
• Wikidata: Q82157610
• Mol file: 480424-98-4.mol

Synonyms:480424-98-4;4-Oxo-4-((4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)amino)butanoic acid;4-oxo-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)anilino]butanoic acid;N-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]succinamic acid;4-(Succinylamino)phenylboronic acid pinacol ester;3-{[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamoyl}propanoic acid;4-(3-CARBOXYPROPANAMIDO)PHENYLBORONIC ACID, PINACOL ESTER;n[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-succinamic acid;3-{[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamoyl}propanoic acid;4-oxo-4-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenylamino)butanoic acid;SCHEMBL3015460;4-(3-Carboxypropanamido)phenylboronic acid pinacol ester;DTXSID70370424;GZCXOZHMQNWRGM-UHFFFAOYSA-N;4-(3-carboxypropionylamino)phenylboronic acid, pinacol ester;MFCD03789267;AKOS015894326;AB16144;AS-2971;N-(6-Aminopyrimidin-4-yl)propionamide;CS-0174578;FT-0644729;F87975;4-(Succinylamino)phenylboronic acid pinacol ester, 97%;N[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl] succinamic acid;n[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]succinamic acid;4-Oxo-4-((4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)amino)butanoicacid;N-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl) -phenyl]-succinamic acid

Chemical Property of 4-Oxo-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)anilino]butanoic acid

Chemical Property:

• Appearance/Colour: white crystalline powder
• Vapor Pressure: 1.77E-12mmHg at 25°C
• Melting Point: 175-178 °C(lit.)
• Refractive Index: 1.532
• Boiling Point: 539.7 °C at 760 mmHg
• Flash Point: 280.2 °C
• PSA: 84.86000
• Density: 1.18 g/cm³
• LogP: 1.86210
• Storage Temp.: Refrigerator (+4°C)
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 319.1591030
• Heavy Atom Count: 23
• Complexity: 441

Purity/Quality:

98%min ^*data from raw suppliers

N-[4-[[4- ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

Useful:

• Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)NC(=O)CCC(=O)O

Technology Process of 4-Oxo-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)anilino]butanoic acid

There total 1 articles about 4-Oxo-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)anilino]butanoic 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: 98.0%

succinic acid anhydride (108-30-5) + 4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)aniline (214360-73-3) → 4-oxo-4-[(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)amino]butanoic acid (480424-98-4)

Guidance literature:

In chloroform; at 20 ℃; for 4h;

DOI:10.3390/molecules23010130

Reference yield: 74.0%

4-oxo-4-[(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)amino]butanoic acid (480424-98-4) + 15-bromo-10-[2,4,6-tris(2,5,8,11,14,17-hexaoxanonadecyl-1H-1,2,3-triazol-4-ylmethoxy)phenyl]-18,18-dimethylchlorin → 15-[4-(3-carboxypropanamido)phenyl]-10-[2,4,6-tris(2,5,8,11,14,17-hexaoxanonadecyl-1H-1,2,3-triazol-4-ylmethoxy)phenyl]-18,18-dimethylchlorin

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; caesium carbonate; In toluene; at 90 ℃; for 3h; Schlenk technique;

DOI:10.3390/molecules23010130

Reference yield: 12.0%

1-bromo-6-(3-hydroxyphenyl)-2-naphthol (1041114-10-6) + 4-oxo-4-[(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)amino]butanoic acid (480424-98-4) → 4-{[3-(2-hydroxy-6-(3-hydroxyphenyl)-1-naphthyl)phenyl]amino}-4-oxobutanoic acid (1262388-21-5)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; sodium carbonate; In ethanol; water; toluene; at 80 ℃; for 0.166667h; Inert atmosphere;

DOI:10.1021/jm1009082

upstream raw materials:

succinic acid anhydride

4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)aniline

Downstream raw materials:

4-{[3-(2-hydroxy-6-(3-hydroxyphenyl)-1-naphthyl)phenyl]amino}-4-oxobutanoic acid

Refernces