2-(tert-Butylcarbonylamino)phenylboronic acid

Base Information

• Chemical Name: 2-(tert-Butylcarbonylamino)phenylboronic acid
• CAS No.: 146140-95-6
• Molecular Formula: C11H16 B N O3
• Molecular Weight: 221.064
• Hs Code.: 2931900090
• European Community (EC) Number: 681-090-4
• DSSTox Substance ID: DTXSID50400637
• Nikkaji Number: J634.405D
• Wikidata: Q82203642
• Mol file: 146140-95-6.mol

Synonyms:146140-95-6;2-(tert-Butylcarbonylamino)phenylboronic acid;(2-Pivalamidophenyl)boronic acid;[2-(2,2-dimethylpropanoylamino)phenyl]boronic Acid;2-PIVALOYLAMINOBENZENE BORONIC ACID;2-(PIVALAMIDO)PHENYLBORONIC ACID;2-(PIVALOYLAMINO)PHENYLBORONIC ACID;C11H16BNO3;MFCD01114645;2-pivalamidophenylboronic acid;SCHEMBL383919;(2-Pivalamidophenyl)boronicacid;2-pivaloylaminophenylboronic acid;DTXSID50400637;2-pivaloylamino phenylboronic acid;MXRAJVMTCAUABO-UHFFFAOYSA-N;Boronic acid, B-[2-[(2,2-dimethyl-1-oxopropyl)amino]phenyl]-;2-(N-pivaloylamino)phenylboronic acid;AKOS004119270;AB08314;AS-32763;CS-0175355;FT-0660346;P2043;2-(Pivalamido)phenylboronic acid, AldrichCPR;[2-(2,2-dimethylpropanamido)phenyl]boronic acid;2-(2,2,2-Trimethylacetamido)phenylboronic Acid;A884548;2-[(2,2-dimethylpropanoyl)amino]phenylboronic acid;{2-[(2,2-dimethylpropanoyl)amino]phenyl}boronic acid;2-(tert-Butylcarbonylamino)phenylboronic acid, AldrichCPR

Chemical Property of 2-(tert-Butylcarbonylamino)phenylboronic acid

Chemical Property:

• Melting Point: 268-271℃
• Boiling Point: °Cat760mmHg
• PKA: 8.52±0.53(Predicted)
• Flash Point: °C
• PSA: 69.56000
• Density: 1.13g/cm³
• LogP: 0.42400
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Methanol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 221.1223235
• Heavy Atom Count: 16
• Complexity: 250

Purity/Quality:

98% ^*data from raw suppliers

2-Pivaloylaminobenzene boronic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R36/37/38:
• Hazard Codes: Xi
• Statements: 36/37/38-36
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B(C1=CC=CC=C1NC(=O)C(C)(C)C)(O)O
• Uses: An intermediate for the synthesis of Norharmane as well as DNA intercalating agents.

Technology Process of 2-(tert-Butylcarbonylamino)phenylboronic acid

There total 7 articles about 2-(tert-Butylcarbonylamino)phenylboronic 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: 98.6%

N-(2-bromophenyl)-2,2-dimethylpropanamide (65854-92-4) → 2-pivaloylaminophenyl boronic acid (146140-95-6)

Guidance literature:

With n-butyllithium; Triisopropyl borate; In tetrahydrofuran; at -70 - -60 ℃; for 6.08333h;

Reference yield: 98.6%

isopropoxyboronic acid (52732-22-6) + N-(2-bromophenyl)-2,2-dimethylpropanamide (65854-92-4) → 2-pivaloylaminophenyl boronic acid (146140-95-6)

Guidance literature:

N-(2-bromophenyl)-2,2-dimethylpropanamide; With n-butyllithium; In tetrahydrofuran; at -70 - -60 ℃; for 1.75h;

isopropoxyboronic acid; In tetrahydrofuran; at -70 - -60 ℃; for 4.33h;

Reference yield: 58.0%

N-pivaloylaniline (6625-74-7) → 2-pivaloylaminophenyl boronic acid (146140-95-6)

Guidance literature:

N-pivaloylaniline; With n-butyllithium;

With Trimethyl borate;

DOI:10.1002/jhet.5570430612

upstream raw materials:

N-pivaloylaniline

Trimethyl borate

N-(2-bromophenyl)-2,2-dimethylpropanamide

isopropoxyboronic acid

Downstream raw materials:

2,2-dimethyl-N-(2-(2-chloro-3-pyridyl)phenyl)propanamide

2,2-dimethyl-N-(2-(3-fluoro-4-pyridyl)phenyl)propanamide

2,2-dimethyl-N-(2-(2-fluoro-3-pyridyl)phenyl)propanamide

N-[2-(3-fluoropyridin-2-yl)phenyl]-2,2-dimethylpropionamide