1-Cyclopentyl-3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea

Base Information

• Chemical Name: 1-Cyclopentyl-3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea
• CAS No.: 874297-80-0
• Molecular Formula: C18H27BN2O3
• Molecular Weight: 330.23
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID10583112
• Wikidata: Q82474628
• Mol file: 874297-80-0.mol

Synonyms:874297-80-0;1-Cyclopentyl-3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea;4-(3-Cyclopentyllureido)phenylboronic acid, pinacol ester;1-CYCLOPENTYL-3-[4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL]UREA;4-(3-Cyclopentyllureido)phenylboronic acid pinacol ester;3-CYCLOPENTYL-1-[4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL]UREA;4-[(Cyclopentylcarbamoyl)amino]benzeneboronic acid, pinacol ester;SCHEMBL1841107;DTXSID10583112;ZJB29780;MFCD09027290;AKOS015893499;AKOS015999391;SB83299;Urea,N-cyclopentyl-N'-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-;AS-55265;CS-0175474;A12908;A853231;1-cyclopentyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea, AldrichCPR;N-Cyclopentyl-N'-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea

Chemical Property of 1-Cyclopentyl-3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea

Chemical Property:

• Vapor Pressure: 4.38E-08mmHg at 25°C
• Refractive Index: 1.537
• Boiling Point: 444.1 °C at 760 mmHg
• Flash Point: 222.4 °C
• PSA: 59.59000
• Density: 1.11 g/cm³
• LogP: 3.51380
• Storage Temp.: 2-8°C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 330.2114729
• Heavy Atom Count: 24
• Complexity: 439

Purity/Quality:

97% ^*data from raw suppliers

4-(3-Cyclopentyllureido)phenylboronicacid,pinacolester ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)NC(=O)NC3CCCC3

Technology Process of 1-Cyclopentyl-3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea

There total 2 articles about 1-Cyclopentyl-3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea 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:

cyclopentyl isocyanate (4747-71-1) + 4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)aniline (214360-73-3) → N-cyclopentyl-N'-[4-(4,4,5,5-tetramethyl-[1,3,2]-dioxaborolan-2-yl)phenyl]urea (874297-80-0)

Guidance literature:

With 4-methyl-morpholine; In tetrahydrofuran;

DOI:10.1016/j.bmcl.2006.12.015

Reference yield:

2-(4-isocyanatophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane + Cyclopentamine (1003-03-8) → N-cyclopentyl-N'-[4-(4,4,5,5-tetramethyl-[1,3,2]-dioxaborolan-2-yl)phenyl]urea (874297-80-0)

Guidance literature:

In dichloromethane; at 0 - 20 ℃;

DOI:10.1021/jm061280h

Reference yield:

N-cyclopentyl-N'-[4-(4,4,5,5-tetramethyl-[1,3,2]-dioxaborolan-2-yl)phenyl]urea (874297-80-0) + 4-iodine-1H-indazol-3-ylamine (599191-73-8) → C19H21N5O

Guidance literature:

With sodium carbonate; dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂; In 1,2-dimethoxyethane; water; at 85 ℃; for 16h;

DOI:10.1021/jm061280h

upstream raw materials:

cyclopentyl isocyanate

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

Cyclopentamine

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