Benzenamine, 3-(1,3,2-dioxaborinan-2-yl)-

Base Information

• Chemical Name: Benzenamine, 3-(1,3,2-dioxaborinan-2-yl)-
• CAS No.: 210775-52-3
• Molecular Formula: C9H12BNO2
• Molecular Weight: 177.011
• DSSTox Substance ID: DTXSID10460111
• Nikkaji Number: J1.483.608J
• Wikidata: Q82284027
• Mol file: 210775-52-3.mol

Synonyms:3-(1,3,2-dioxaborinan-2-yl)aniline;210775-52-3;Benzenamine, 3-(1,3,2-dioxaborinan-2-yl)-;3-[1,3,2]Dioxaborinan-2-yl-phenylamine;starbld0019386;SCHEMBL7738382;DTXSID10460111;BS-51644;F72964

Chemical Property of Benzenamine, 3-(1,3,2-dioxaborinan-2-yl)-

Chemical Property:

• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 177.0961088
• Heavy Atom Count: 13
• Complexity: 162

Purity/Quality:

99%,98%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B1(OCCCO1)C2=CC(=CC=C2)N

Technology Process of Benzenamine, 3-(1,3,2-dioxaborinan-2-yl)-

There total 3 articles about Benzenamine, 3-(1,3,2-dioxaborinan-2-yl)- 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: 93.0%

3-Aminophenylboronic acid (30418-59-8,280563-63-5) + trimethyleneglycol (504-63-2) → 3-[1,3,2]dioxaborinan-2-yl-phenylamine (210775-52-3)

Guidance literature:

With trimethyl orthoformate; for 2h; Ambient temperature;

DOI:10.1016/S0040-4039(99)00225-7

Reference yield: 85.0%

3-aminobenzeneboronic acid monohydrate (206658-89-1) + trimethyleneglycol (504-63-2) → 3-[1,3,2]dioxaborinan-2-yl-phenylamine (210775-52-3)

Guidance literature:

In further solvent(s); solvent: HC(OMe)3, 2 h, room temp.; vac. evapn., redissolving in CHCl3, hexene addn., filtration, vac. evapnof the filtrate solvent, elem. anal.;

DOI:10.1039/b202793c

Reference yield:

benzylidene(3-[1,3,2]dioxaborinan-2-yl-phenyl)amine → benzaldehyde (100-52-7) + 3-[1,3,2]dioxaborinan-2-yl-phenylamine (210775-52-3)

Guidance literature:

With D-Fructose; In methanol; water; at 20 ℃; Rate constant; other reag.;

DOI:10.1016/S0040-4039(99)00225-7

upstream raw materials:

3-Aminophenylboronic acid

trimethyleneglycol

3-aminobenzeneboronic acid monohydrate

Downstream raw materials:

(3-[1,3,2]dioxaborinan-2-yl-phenyl)(4-methylbenzylidene)amine

(4-chlorobenzylidene)(3-[1,3,2]dioxaborinan-2-yl-phenyl)amine

(3-[1,3,2]dioxaborinan-2-yl-phenyl)(3-nitrobenzylidene)amine

benzylidene(3-[1,3,2]dioxaborinan-2-yl-phenyl)amine