trans-Nonenylboronic acid

Base Information

• Chemical Name: trans-Nonenylboronic acid
• CAS No.: 57404-77-0
• Molecular Formula: C9H19BO2
• Molecular Weight: 170.06
• Hs Code.: 2931900090
• DSSTox Substance ID: DTXSID90421407
• Nikkaji Number: J1.089.512J,J2.106.131J
• Wikidata: Q82232888
• Mol file: 57404-77-0.mol

Synonyms:trans-Nonenylboronic acid;57404-77-0;[(E)-non-1-enyl]boronic acid;(E)-Non-1-en-1-ylboronic acid;trans-1-Nonenylboronic acid;(1-Nonenyl)boronic acid;E-1-nonenyl-dihydroxyborane;(E)-non-1-enylboronic acid;[(E)-1-Nonenyl]boronic acid;SCHEMBL2619763;(E)-Non-1-en-1-ylboronicacid;DTXSID90421407;QQYXRMSFSNQEBV-CMDGGOBGSA-N;MFCD01074618;[(1E)-non-1-en-1-yl]boronic acid;AKOS015836322;A831431

Chemical Property of trans-Nonenylboronic acid

Chemical Property:

• Vapor Pressure: 0.000453mmHg at 25°C
• Melting Point: 100-104 °C(lit.)
• Refractive Index: 1.448
• Boiling Point: 280.4°C at 760 mmHg
• PKA: 9.84±0.43(Predicted)
• Flash Point: 123.4°C
• PSA: 40.46000
• Density: 0.906g/cm³
• LogP: 1.91510
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 170.1478100
• Heavy Atom Count: 12
• Complexity: 113

Purity/Quality:

98%min ^*data from raw suppliers

trans-Nonenylboronic acid 95% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B(C=CCCCCCCC)(O)O
• Isomeric SMILES: B(/C=C/CCCCCCC)(O)O

Technology Process of trans-Nonenylboronic acid

There total 2 articles about trans-Nonenylboronic 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:

Octanal (124-13-0) + tris(ethylenedioxyboryl)methane (59278-44-3) → (E)-1-nonenylboronic acid (57404-77-0)

Guidance literature:

Multistep reaction; (i) MeLi, Et₂O, THF, CH₂Cl₂, (ii) /BRN= 1744086/;

DOI:10.1021/ja00852a062

Reference yield:

→ (E)-1-nonenylboronic acid (57404-77-0)

Guidance literature:

Lithium-bis(ethylendioxyboryl)methid, 1. CH3-(CH2)6-CHO, 2.Hydrolyse;

DOI:10.1016/S0022-328X(00)90155-4

Reference yield: 97.0%

(E)-1-nonenylboronic acid (57404-77-0) + 2-Chloronitrobenzene (88-73-3) → trans-1-(2-nitrophenyl)-1-nonene (1067225-26-6)

Guidance literature:

With tris(dibenzylideneacetone)dipalladium ⁽⁰⁾; caesium carbonate; In 1,4-dioxane; for 1h; Heating;

DOI:10.1016/j.tetlet.2008.07.050

upstream raw materials:

Octanal

tris(ethylenedioxyboryl)methane

Downstream raw materials:

1-(4-octyloxyphenyl)-2-[4-(1-trans-nonenyl)-3-fluorophenyl]acetylene

trans-1-(1,3-dimethylphenyl)-1-nonene

trans-1-(2-nitrophenyl)-1-nonene

1-((E)-non-1-enyl)benzene

Refernces