(E)-(4-(2-Nitrovinyl)phenyl)boronic acid

Base Information

• Chemical Name: (E)-(4-(2-Nitrovinyl)phenyl)boronic acid
• CAS No.: 216394-04-6
• Molecular Formula: C₈H₈BNO₄
• Molecular Weight: 192.967
• Hs Code.: 2931900090
• European Community (EC) Number: 681-914-2
• DSSTox Substance ID: DTXSID70420751
• Wikidata: Q82232048
• Mol file: 216394-04-6.mol

Synonyms:216394-04-6;(E)-(4-(2-Nitrovinyl)phenyl)boronic acid;4-(2-Nitrovinyl)phenylboronic acid;98555-37-4;[4-[(E)-2-nitroethenyl]phenyl]boronic acid;4-(2-Nitrovinyl)phenylboronicAcid;4-(E-2-Nitrovinyl)phenylboronic acid;4-[(E)-2-NITROVINYL]PHENYLBORONIC ACID;4-[(E)-2-Nitrovinyl]benzeneboronic acid;{4-[(1E)-2-nitroethenyl]phenyl}boronic acid;TRANS-4-(BETA-NITROVINYL)BENZENEBORONIC ACID;{4-[(E)-2-nitroethenyl]phenyl}boronic acid;MFCD01075748;DTXSID70420751;YDA55537;AC1114;AKOS015833339;4-BORONO-TRANS-BETA-NITROSTYRENE;(E)-4-(2-nitrovinyl)phenylboronic acid;AS-64782;CS-12153;CS-0174620;A815561;A916409;TRANS-4-(2-NITROVINYL)BENZENEBORONIC ACID

Chemical Property of (E)-(4-(2-Nitrovinyl)phenyl)boronic acid

Chemical Property:

• Vapor Pressure: 1.51E-07mmHg at 25°C
• Melting Point: 289-291°C
• Refractive Index: 1.581
• Boiling Point: 412.6 °C at 760 mmHg
• Flash Point: 203.3 °C
• PSA: 86.28000
• Density: 1.32g/cm³
• LogP: 0.13700
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 193.0546379
• Heavy Atom Count: 14
• Complexity: 218

Purity/Quality:

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

(E)-(4-(2-Nitrovinyl)phenyl)boronicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R36/37/38:Irritating to eyes, respiratory system and skin.
• Hazard Codes: Xn
• Statements: 36/37/38-22
• Safety Statements: 26-36-24/25-22

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of (E)-(4-(2-Nitrovinyl)phenyl)boronic acid

There total 2 articles about (E)-(4-(2-Nitrovinyl)phenyl)boronic 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:

4-bromomethylphenylboronic acid (68162-47-0) → dihydroxy-[4-(2-nitro-vinyl)-phenyl]-borane (98555-37-4,216394-04-6)

Guidance literature:

Multi-step reaction with 2 steps

1: aqueous hexamethylenetetramine

2: aq.-ethanolic NaOH

With sodium hydroxide; hexamethylenetetramine;

DOI:10.1021/ja01537a021

Reference yield:

nitromethane (75-52-5) + 4-formylphenylboronic acid, (87199-17-5) → dihydroxy-[4-(2-nitro-vinyl)-phenyl]-borane (98555-37-4,216394-04-6)

Guidance literature:

With sodium hydroxide;

DOI:10.1021/ja01537a021

upstream raw materials:

nitromethane

4-formylphenylboronic acid,

4-bromomethylphenylboronic acid