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

Base Information

• Chemical Name: 1-Methyl-3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea
• CAS No.: 874290-99-0
• Molecular Formula: C14H21BN2O3
• Molecular Weight: 276.143
• Hs Code.: 2934999090
• European Community (EC) Number: 807-932-4
• DSSTox Substance ID: DTXSID30590404
• Wikidata: Q82484105
• Mol file: 874290-99-0.mol

Synonyms:874290-99-0;1-Methyl-3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea;4-(3-Methylureido)phenylboronic acid, pinacol ester;1-methyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea;MFCD06795684;(4-(3-METHYLUREIDO)PHENYL)BORONIC ACID PINACOL ESTER;4-(3-Methylureido)benzeneboronic acid, pinacol ester;4-(3-Methylureido)phenylboronic acid pinacol ester;SCHEMBL441861;C14H21BN2O3;DTXSID30590404;MRHQTDZUJNAZGQ-UHFFFAOYSA-N;3-methyl-1-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea;AKOS015999795;N-Methyl-N'-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea;AB29251;1-methyl-3-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-urea;4-[(METHYLCARBAMOYL)AMINO]BENZENEBORONIC ACID, PINACOL ESTER 95%4-(3-METHYLUREIDO)BENZENEBORONIC ACID, PINACOL ESTER;AC-31785;AM804463;AS-39509;SY122935;CS-0036268;EN300-305314;A862606;Z2037320177;1-methyl-3-[4-(4, 4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-urea;1-methyl-3-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]urea;1-METHYL-3-[4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE-2-YL)PHENYL]-UREA;Urea,N-methyl-N'-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-

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

Chemical Property:

• Vapor Pressure: 6.35E-06mmHg at 25°C
• Melting Point: 183-187 °C
• Refractive Index: 1.521
• Boiling Point: 378.3 °C at 760 mmHg
• PKA: 14.10±0.46(Predicted)
• Flash Point: 182.6 °C
• PSA: 59.59000
• Density: 1.1 g/cm³
• LogP: 2.20100
• Storage Temp.: Keep Cold
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 276.1645227
• Heavy Atom Count: 20
• Complexity: 349

Purity/Quality:

97% ^*data from raw suppliers

1-Methyl-3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea ^*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)NC

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

There total 6 articles about 1-Methyl-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: 90.0%

2-(4-isocyanatophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane + methylamine (74-89-5) → 1-methyl-3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea (874290-99-0)

Guidance literature:

In tetrahydrofuran; at 20 ℃; for 6h;

Reference yield: 90.0%

→ 1-methyl-3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea (874290-99-0)

Guidance literature:

Reference yield: 88.0%

phenyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenylcarbamate (756520-47-5) + methylamine (74-89-5) → 1-methyl-3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea (874290-99-0)

Guidance literature:

In tetrahydrofuran; at 20 ℃; for 6h;

upstream raw materials:

methylamine

1-(4-bromophenyl)-3-methylurea

bis(pinacol)diborane

4-bromophenyl isocyanate

Downstream raw materials:

(S)-1-(4-(4-(5-fluoro-2-(methylsulfonyl)phenyl)-6-(3-methylmorpholino)-1,3,5-triazin-2-yl)phenyl)-3-methylurea

(S)-1-(4-(4-(5-fluoro-2-(methylthio)phenyl)-6-(3-methylmorpholin-4-yl)-1,3,5-triazin-2-yl)phenyl)-3-methylurea

1-[4-[4-(hydroxymethyl)-6-[(3S)-3-methylmorpholin-4-yl]pyrimidin-2-yl]phenyl]-3-methylurea

3-methyl-1-[4-[4-[(3S)-3-methylmorpholin-4-yl]-6-(pyridin-4-ylsulfonylmethyl)pyrimidin-2-yl]phenyl]urea