N-Methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-YL)quinazolin-2-amine

Base Information

• Chemical Name: N-Methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-YL)quinazolin-2-amine
• CAS No.: 913067-91-1
• Molecular Formula: C15H20BN3O2
• Molecular Weight: 285.154
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID60582079
• Wikidata: Q72487439
• Mol file: 913067-91-1.mol

Synonyms:913067-91-1;N-METHYL-6-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)QUINAZOLIN-2-AMINE;(2-(Methylamino)quinazolin-6-yl)boronic acid pinacol ester;2-Quinazolinamine,N-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-;SCHEMBL1368949;DTXSID60582079;DIHAVMAMDKOAGT-UHFFFAOYSA-N;MFCD09834730;AKOS015899773;AM805155;AS-39564;CS-0001995;A26936;A843798;J-523669;2-(Methylamino)quinazoline-6-boronic acid pinacol ester;N-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-quinazolinamine;N-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-quinazolin-2-amine

Chemical Property of N-Methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-YL)quinazolin-2-amine

Chemical Property:

• Vapor Pressure: 2.7E-08mmHg at 25°C
• Refractive Index: 1.565
• Boiling Point: 450.1 °C at 760 mmHg
• PKA: 5.27±0.46(Predicted)
• Flash Point: 226 °C
• PSA: 56.27000
• Density: 1.14g/cm³
• LogP: 2.04370
• Storage Temp.: 2-8°C(protect from light)
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 285.1648571
• Heavy Atom Count: 21
• Complexity: 375

Purity/Quality:

97% ^*data from raw suppliers

N-Methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-amine 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC3=CN=C(N=C3C=C2)NC

Technology Process of N-Methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-YL)quinazolin-2-amine

There total 3 articles about N-Methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-YL)quinazolin-2-amine 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: 96.0%

(6-bromo-quinazolin-2-yl)-methylamine (882670-77-1) + bis(pinacol)diborane (73183-34-3) → N-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-amine (913067-91-1)

Guidance literature:

With tris(dibenzylideneacetone)dipalladium ⁽⁰⁾; potassium acetate; CyJohnPhos; In 1,4-dioxane; at 80 ℃;

DOI:10.1021/jm0605482

Reference yield:

5-bromo-2-fluorobenzaldehyde (93777-26-5) → N-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-amine (913067-91-1)

Guidance literature:

Multi-step reaction with 3 steps

1.1: NEt(i-Pr)2 / 1-methyl-pyrrolidin-2-one / 150 - 160 °C

1.2: 48 percent / 1-methyl-pyrrolidin-2-one / 150 - 160 °C

2.1: 68 percent / p-toluenesulfonic acid monohydrate / 24 h / 150 °C / 42406.1 Torr

3.1: 96 percent / Pd₂(dba)3; (o-biphenyl)PCy₂; KOAc / dioxane / 80 °C

With tris(dibenzylideneacetone)dipalladium ⁽⁰⁾; potassium acetate; toluene-4-sulfonic acid; N-ethyl-N,N-diisopropylamine; CyJohnPhos; In 1,4-dioxane; 1-methyl-pyrrolidin-2-one;

DOI:10.1021/jm0605482

Reference yield:

6-bromoquinazolin-2-ylamine (190273-89-3) → N-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-amine (913067-91-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 68 percent / p-toluenesulfonic acid monohydrate / 24 h / 150 °C / 42406.1 Torr

2: 96 percent / Pd₂(dba)3; (o-biphenyl)PCy₂; KOAc / dioxane / 80 °C

With tris(dibenzylideneacetone)dipalladium ⁽⁰⁾; potassium acetate; toluene-4-sulfonic acid; CyJohnPhos; In 1,4-dioxane;

DOI:10.1021/jm0605482

upstream raw materials:

(6-bromo-quinazolin-2-yl)-methylamine

bis(pinacol)diborane

5-bromo-2-fluorobenzaldehyde

6-bromoquinazolin-2-ylamine

Downstream raw materials:

2-fluoro-N-(3-isopropoxyphenyl)-4-methyl-3-(2-(methylamino)-quinazolin-6-yl)benzamide

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