trans-Heptenylboronic acid

Base Information

• Chemical Name: trans-Heptenylboronic acid
• CAS No.: 57404-76-9
• Molecular Formula: C7H15BO2
• Molecular Weight: 142.006
• Hs Code.: 2931900090
• European Community (EC) Number: 624-074-4
• Nikkaji Number: J1.153.921A,J2.023.984K,J669.493D
• ChEMBL ID: CHEMBL2315710
• Mol file: 57404-76-9.mol

Synonyms:57404-76-9;trans-Heptenylboronic acid;E-Hepten-1-ylboronic acid;(E)-hept-1-en-1-ylboronic acid;trans-1-Heptenylboronic acid;Trans-hept-1-enylboronic acid;[(E)-hept-1-enyl]boronic acid;hept-1-en-1-ylboronic acid;214907-32-1;Hept-1-enylboronic Acid;(1E)-hept-1-en-1-ylboronic acid;1-Heptenylboranic acid;trans-Hept-1-enylboronicacid;E-(Hepten-1-yl)boronic acid;SCHEMBL2619762;((E)-1-Heptenyl)boronic acid;[(Z)-1-Heptenyl]boronic acid;CHEMBL2315710;LDTJUGVTOZBIBN-VOTSOKGWSA-N;(E)-HEPT-1-ENYLBORONIC ACID;MFCD01074600;AKOS015836310;[(1E)-hept-1-en-1-yl]boronic acid;[(1Z)-hept-1-en-1-yl]boronic acid;BS-28967;CS-0175026;A831430

Chemical Property of trans-Heptenylboronic acid

Chemical Property:

• Vapor Pressure: 0.00469mmHg at 25°C
• Melting Point: 107-111 °C(lit.)
• Refractive Index: 1.443
• Boiling Point: 245.7 °C at 760 mmHg
• PKA: 9.81±0.43(Predicted)
• Flash Point: 102.4 °C
• PSA: 40.46000
• Density: 0.918g/cm³
• LogP: 1.13490
• Storage Temp.: Keep Cold
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 142.1165099
• Heavy Atom Count: 10
• Complexity: 91.6

Purity/Quality:

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

E-Hepten-1-ylboronicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B(C=CCCCCC)(O)O
• Isomeric SMILES: B(/C=C/CCCCC)(O)O
• Uses: Reactant for:Suzuki-Miyaura alkenylationPalladacycle-catalyzed asymmetric ring-opening reaction of oxabicyclic alkenesDouble Suzuki couplingsRhodium-catalyzed asymmetric addition reactions

Technology Process of trans-Heptenylboronic acid

There total 8 articles about trans-Heptenylboronic 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: 100.0%

1-Heptyne (628-71-7) → trans-1-heptenylboronic acid (57404-76-9)

Guidance literature:

With benzo[1,3,2]dioxaborole; In tetrahydrofuran; Heating;

DOI:10.1016/j.bmcl.2005.03.098

Reference yield: 91.0%

(1E)-1-heptenyldibromoborane-dimethylsulfide complex (123507-49-3) → trans-1-heptenylboronic acid (57404-76-9)

Guidance literature:

With water; In diethyl ether; dichloromethane; under N2; to excess of H2O in Et2O added cooled (0 °C) soln. of B complex in CH2Cl2 with stirring, stirred for 10 min; water layer sepd., org. layer washed with cold H2O and brine, dried with MgSO4, evapd. in vac., recrystd. from C6H6;

DOI:10.1021/om50004a008

Reference yield: 90.0%

(E)-hept-1-en-1-yl-1,3,2-benzodioxaborole (98631-59-5) → trans-1-heptenylboronic acid (57404-76-9)

Guidance literature:

With water; at 20 ℃; for 1h;

DOI:10.1016/j.bmc.2004.01.051

upstream raw materials:

tris(ethylenedioxyboryl)methane

hexanal

Triisopropyl borate

(E)-1-iodohept-1-ene

Downstream raw materials:

(R)-3-((E)-hept-1-enyl)cyclohexanone

(E)-methyl 4-(1-heptenyl)-2,6-dihydroxybenzoate

(E)-2-(hept-1-en-1-yl)-3-(hydroxymethyl)benzene-1,4-diol

(E)-oct-2-enoic acid