Acenaphthene-5-boronic acid

Base Information

• Chemical Name: Acenaphthene-5-boronic acid
• CAS No.: 183158-33-0
• Molecular Formula: C12H11 B O2
• Molecular Weight: 198.029
• Hs Code.: 2931900090
• DSSTox Substance ID: DTXSID40393781
• Nikkaji Number: J3.226.459J
• Wikidata: Q82192720
• Mol file: 183158-33-0.mol

Synonyms:Acenaphthene-5-boronic acid;183158-33-0;(1,2-Dihydroacenaphthylen-5-yl)boronic acid;1,2-dihydroacenaphthylen-5-ylboronic acid;5-acenaphtheneboronic acid;5-acenaphthene boronic acid;SCHEMBL3318165;(Acenaphthene-5-yl)boronic acid;DTXSID40393781;RBYUCFIZMNKDGX-UHFFFAOYSA-N;AMY30006;MFCD00448048;AKOS004113965;BS-21810;(1,2-Dihydroacenaphthylen-5-yl)boronicacid;CS-0155688;D94570;EN300-1236655;A880844;Boronic acid, B-(1,2-dihydro-5-acenaphthylenyl)-;J-011722

Chemical Property of Acenaphthene-5-boronic acid

Chemical Property:

• Vapor Pressure: 3.74E-08mmHg at 25°C
• Melting Point: 270 °C(lit.)
• Refractive Index: 1.675
• Boiling Point: 429.9°C at 760 mmHg
• PKA: 9.11±0.20(Predicted)
• Flash Point: 213.8°C
• PSA: 40.46000
• Density: 1.28g/cm³
• LogP: 0.61820
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 198.0852098
• Heavy Atom Count: 15
• Complexity: 244

Purity/Quality:

99%, ^*data from raw suppliers

Acenaphthene-5-boronicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: B(C1=CC=C2CCC3=C2C1=CC=C3)(O)O

Technology Process of Acenaphthene-5-boronic acid

There total 3 articles about Acenaphthene-5-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: 45.0%

5-bromoacenaphthene (2051-98-1) → acenaphthene-5-boronic acid (183158-33-0)

Guidance literature:

5-bromoacenaphthene; With n-butyllithium; In diethyl ether; hexane; toluene; at -70 - -10 ℃; for 2h;

With Triisopropyl borate; In diethyl ether; hexane; toluene; at -70 ℃;

With hydrogenchloride; water; In diethyl ether; hexane; toluene;

Reference yield: 45.0%

→ acenaphthene-5-boronic acid (183158-33-0)

Guidance literature:

Reference yield:

1,4-bromoiodobenzene (589-87-7) → acenaphthene-5-boronic acid (183158-33-0)

Guidance literature:

In toluene;

upstream raw materials:

1,4-bromoiodobenzene

5-bromoacenaphthene

Downstream raw materials:

4-(1,2-dihydroacenaphthylen-5-yl)isoquinoline

methyl (Z)-2-(tert-butoxycarbonylamino)-3-(1,2-dihydroacenaphthylen-5-yl)but-2-enoate

methyl (E)-2-(tert-butoxycarbonylamino)-3-(1,2-dihydroacenaphthylen-5-yl)but-2-enoate

methyl (Z)-2-(tert-butoxycarbonylamino)-3,3-bis(1,2-dihydroacenaphthylen-5-yl)acrylate

Refernces

• 1、 -. "ANTHRACENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME". Page/Page column 38-39. . Retrieved 2008/06/13.