3-Amino-5-nitrophenylboronic acid

Base Information

• Chemical Name: 3-Amino-5-nitrophenylboronic acid
• CAS No.: 89466-05-7
• Molecular Formula: C6H7BN2O4
• Molecular Weight: 181.944
• Hs Code.: 2931900090
• European Community (EC) Number: 688-434-2
• DSSTox Substance ID: DTXSID20372256
• Wikidata: Q82159855
• ChEMBL ID: CHEMBL5205919
• Mol file: 89466-05-7.mol

Synonyms:89466-05-7;3-Amino-5-nitrophenylboronic acid;(3-amino-5-nitrophenyl)boronic acid;3-Amino-5-nitrobenzeneboronic acid;MFCD08436012;3-Amino-5-nitrophenyl boronic acid;SCHEMBL2016539;3-BORONO-5-NITROANILINE;CHEMBL5205919;DTXSID20372256;KLVJZQJSYAKUKK-UHFFFAOYSA-N;(3-amino-5-nitrophenyl)boronicacid;AC7151;AKOS006228021;AB44928;BS-23944;SY024943;CS-0174310;FT-0642124;A843200;(3-amino-5-nitro-phenyl)boronic acid;3-Amino-5-nitrophenylboronic Acid

Chemical Property of 3-Amino-5-nitrophenylboronic acid

Chemical Property:

• Vapor Pressure: 3.48E-10mmHg at 25°C
• Refractive Index: 1.617
• Boiling Point: 484.1 °C at 760 mmHg
• Flash Point: 246.6 °C
• PSA: 112.30000
• Density: 1.48 g/cm³
• LogP: -0.03880
• Storage Temp.: Keep Cold
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 182.0498869
• Heavy Atom Count: 13
• Complexity: 196

Purity/Quality:

97% ^*data from raw suppliers

3-Amino-5-nitrophenylboronicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B(C1=CC(=CC(=C1)[N+](=O)[O-])N)(O)O

Technology Process of 3-Amino-5-nitrophenylboronic acid

There total 3 articles about 3-Amino-5-nitrophenylboronic acid 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: 90.4%

→ (3-amino-5-nitro)phenyl boronic acid (89466-05-7)

Guidance literature:

With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium acetate; In dimethyl sulfoxide; at 80 ℃; for 18h; Inert atmosphere;

With sodium periodate; ammonium chloride; In methanol; at 20 ℃; for 18h;

Reference yield:

acetic acid-(3-dihydroxyboranyl-5-nitro-anilide) (99768-09-9) → (3-amino-5-nitro)phenyl boronic acid (89466-05-7)

Guidance literature:

With hydrogenchloride;

Reference yield:

3-dihydroxyboranyl-5-nitro-benzoyl azide → (3-amino-5-nitro)phenyl boronic acid (89466-05-7)

Guidance literature:

Multi-step reaction with 2 steps

1: aqueous H₃PO₄

2: aqueous HCl

With hydrogenchloride; phosphoric acid;

upstream raw materials:

acetic acid-(3-dihydroxyboranyl-5-nitro-anilide)

Downstream raw materials:

(3,5-diaminophenyl)boronic acid

3-amino-5-nitro-phenylmercury ⁽¹⁺⁾; chloride

4-[5-(3-amino-5-nitrophenyl)-1,3-thiazol-2-yl]-1,4-diazepan-2-one

C₂₅H₂₂ClN₃O₄

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