Benzenamine, 4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-N,N-dimethyl-

Base Information

• Chemical Name: Benzenamine, 4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-N,N-dimethyl-
• CAS No.: 95752-87-7
• Molecular Formula: C13H20BNO2
• Molecular Weight: 233.118
• DSSTox Substance ID: DTXSID80456960
• Nikkaji Number: J2.179.113J
• Wikidata: Q82279609
• Mol file: 95752-87-7.mol

Synonyms:95752-87-7;4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-N,N-dimethylaniline;Benzenamine, 4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-N,N-dimethyl-;starbld0019389;DTXSID80456960;2-[4-(Dimethylamino)phenyl]-5,5-dimethyl-1,3,2-dioxaborinane

Chemical Property of Benzenamine, 4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-N,N-dimethyl-

Chemical Property:

• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 233.1587090
• Heavy Atom Count: 17
• Complexity: 240

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B1(OCC(CO1)(C)C)C2=CC=C(C=C2)N(C)C

Technology Process of Benzenamine, 4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-N,N-dimethyl-

There total 12 articles about Benzenamine, 4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-N,N-dimethyl- 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: 79.0%

4-fluoro-N,N-dimethylaniline (403-46-3) + 2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-5,5-dimethyl-1,3,2-dioxaborinane (201733-56-4) → 5,5-dimethyl-2-(4-(N,N-dimethylamino)phenyl)-1,3,2-dioxaborinane (95752-87-7)

Guidance literature:

With bis(1,5-cyclooctadiene)nickel⁽⁰⁾; sodium phenoxide; tricyclohexylphosphine; In tetrahydrofuran; at 110 ℃; for 15h; Schlenk technique; Inert atmosphere; Glovebox;

DOI:10.1021/jacs.5b08103

Reference yield: 72.0%

2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-5,5-dimethyl-1,3,2-dioxaborinane (201733-56-4) + 4-cyano-N,N-dimethylaniline (1197-19-9) → 5,5-dimethyl-2-(4-(N,N-dimethylamino)phenyl)-1,3,2-dioxaborinane (95752-87-7)

Guidance literature:

With [RhCl(cod)]2; Xantphos; DABCO; In toluene; 100°C, 15 h;

DOI:10.1021/ja2095975

Reference yield: 67.0%

4-((2,6-dimethylphenyl)sulfinyl)-N,N-dimethylaniline + 2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-5,5-dimethyl-1,3,2-dioxaborinane (201733-56-4) → 5,5-dimethyl-2-(4-(N,N-dimethylamino)phenyl)-1,3,2-dioxaborinane (95752-87-7)

Guidance literature:

With bis(1,5-cyclooctadiene)nickel ⁽⁰⁾; C₁₅H₂₄N₂*H⁽¹⁺⁾*BF₄^(1-); sodium t-butanolate; In 1,4-dioxane; at 110 ℃; for 20h; Inert atmosphere; Glovebox;

DOI:10.1002/chem.202100342

upstream raw materials:

4-bromo-N,N-dimethylaniline

2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-5,5-dimethyl-1,3,2-dioxaborinane

C₁₁H₁₆N₂O₂

4-cyano-N,N-dimethylaniline

Downstream raw materials:

methyl 4-(N,N-dimethylamino)benzoate

p-N,N-dimethylaminobenzoic acid

2-(4-N,N-dimethylaminophenyl)naphthalene

N,N'-bis(1-ethylpropyl)-2,5,8,11-tetrakis[p-(N,N-dimethylamino)phenyl]perylene-3,4:9,10-tetracarboxylic acid bisimide

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