(4-(5-(4-(Dimethylamino)phenyl)oxazol-2-yl)phenyl)boronic acid

Base Information

• Chemical Name: (4-(5-(4-(Dimethylamino)phenyl)oxazol-2-yl)phenyl)boronic acid
• CAS No.: 380499-66-1
• Molecular Formula: C₁₇H₁₇BN₂O₃
• Molecular Weight: 308.145
• Hs Code.: 2934999090
• European Community (EC) Number: 813-011-8
• DSSTox Substance ID: DTXSID70438351
• Nikkaji Number: J1.609.816G
• Wikidata: Q82254068
• Mol file: 380499-66-1.mol

Synonyms:380499-66-1;(4-(5-(4-(Dimethylamino)phenyl)oxazol-2-yl)phenyl)boronic acid;4-[5-(4-Dimethylaminophenyl)oxazol-2-yl]phenylboronic acid;[4-[5-[4-(dimethylamino)phenyl]-1,3-oxazol-2-yl]phenyl]boronic acid;Boronic acid, [4-[5-[4-(dimethylamino)phenyl]-2-oxazolyl]phenyl]-;(4-{5-[4-(Dimethylamino)phenyl]-1,3-oxazol-2-yl}phenyl)boronic acid;SCHEMBL2560637;DTXSID70438351;(4-(5-(4-(Dimethylamino)phenyl)oxazol-2-yl)phenyl)boronicacid;MFCD08689479;AKOS015850718;BS-22530;CS-0174681;FT-0688823;A873941;4-[5-(4-Dimethylaminophenyl)oxazol-2-yl]benzeneboronic acid;4-[5-[4-(Dimethylamino)phenyl]oxazole-2-yl]phenylboranic acid;4-[5-(4-Dimethylaminophenyl)oxazol-2-yl]benzeneboronic acid 97

Chemical Property of (4-(5-(4-(Dimethylamino)phenyl)oxazol-2-yl)phenyl)boronic acid

Chemical Property:

• Vapor Pressure: 1.12E-12mmHg at 25°C
• Refractive Index: 1.636
• Boiling Point: 544.2 °C at 760 mmHg
• PKA: 8.34±0.17(Predicted)
• Flash Point: 282.9 °C
• PSA: 69.73000
• Density: 1.28 g/cm³
• LogP: 1.75440
• Storage Temp.: Keep Cold
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 308.1332226
• Heavy Atom Count: 23
• Complexity: 367

Purity/Quality:

98% ^*data from raw suppliers

4-[5-(4-Dimethylaminophenyl)oxazol-2-yl]phenylboronicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B(C1=CC=C(C=C1)C2=NC=C(O2)C3=CC=C(C=C3)N(C)C)(O)O

Technology Process of (4-(5-(4-(Dimethylamino)phenyl)oxazol-2-yl)phenyl)boronic acid

There total 5 articles about (4-(5-(4-(Dimethylamino)phenyl)oxazol-2-yl)phenyl)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: 48.0%

2-amino-4'-dimethylaminoacetophenone hydrochloride (102742-20-1) + 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid chloride (380499-68-3) → 5-(4-dimethylaminophenyl)-2-[4-(dihydroxyboranyl)phenyl]oxazole (380499-66-1)

Guidance literature:

With POCl₃; In not given; 1) CH2Cl2, anhydr.pyridine, at room temp. for 12 h; 2) heated for 30 min, acidic hydrolized;

DOI:10.1039/b106763j

Reference yield:

2-amino-4'-dimethylaminoacetophenone hydrochloride (102742-20-1) → 5-(4-dimethylaminophenyl)-2-[4-(dihydroxyboranyl)phenyl]oxazole (380499-66-1)

Guidance literature:

Multi-step reaction with 2 steps

1.1: pyridine / CH₂Cl₂ / 12 h / 20 °C

2.1: POCl₃ / 0.5 h / Heating

2.2: aq. acid

With pyridine; trichlorophosphate; In dichloromethane;

DOI:10.1039/b106763j

Reference yield:

4-carboxyphenylboronic acid pinacol ester (180516-87-4) → 5-(4-dimethylaminophenyl)-2-[4-(dihydroxyboranyl)phenyl]oxazole (380499-66-1)

Guidance literature:

Multi-step reaction with 3 steps

1.1: SOCl₂ / Heating

2.1: pyridine / CH₂Cl₂ / 12 h / 20 °C

3.1: POCl₃ / 0.5 h / Heating

3.2: aq. acid

With pyridine; thionyl chloride; trichlorophosphate; In dichloromethane;

DOI:10.1039/b106763j

upstream raw materials:

N-[2-(4-dimethylamino-phenyl)-2-oxo-ethyl]-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzamide

2-amino-4'-dimethylaminoacetophenone hydrochloride

4-carboxyphenylboronic acid pinacol ester

4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid chloride

Refernces