E-Hexen-1-ylboronic acid

Base Information

• Chemical Name: E-Hexen-1-ylboronic acid
• CAS No.: 42599-18-8
• Molecular Formula: C6H13BO2
• Molecular Weight: 127.979
• Hs Code.: 2931900090
• European Community (EC) Number: 810-557-9
• Nikkaji Number: J1.052.113K,J271.016A
• Wikidata: Q76303681
• Mol file: 42599-18-8.mol

Synonyms:E-Hexen-1-ylboronic acid;42599-18-8;(E)-Hex-1-en-1-ylboronic acid;1-Hexenylboronic acid;[(E)-hex-1-enyl]boronic acid;trans-1-Hexen-1-ylboronic acid;(E)-(Hexen-1-yl)boronic acid;(E)-HEX-1-ENYLBORONIC ACID;(E)-Hexen-1-Ylboronic Acid 98%;Boronic acid,B-(1E)-1-hexenyl-;(E)-1-hexeneboronic acid;trans-1-hexenylboronic acid;(e)-hexen-1-ylboronic acid;(E)-1-hexenyl boronic acid;trans-1-hexenyl boronic acid;(E)-hexene-1-ylboronic acid;((E)-1-Hexenyl)boronic acid;(E)-Hex-1-en-1-ylboronicacid;GWFKSQSXNUNYAC-AATRIKPKSA-N;(1E)-hex-1-en-1-ylboronic acid;MFCD01074553;AKOS015836309;CS-16267;CS-0094491;F10508;InChI=1/C6H13BO2/c1-2-3-4-5-6-7(8)9/h5-6,8-9H,2-4H2,1H3/b6-5

Chemical Property of E-Hexen-1-ylboronic acid

Chemical Property:

• Vapor Pressure: 0.0148mmHg at 25°C
• Melting Point: 62-63 °C
• Refractive Index: 1.439
• Boiling Point: 227.8 °C at 760 mmHg
• PKA: 9.81±0.43(Predicted)
• Flash Point: 91.6 °C
• PSA: 40.46000
• Density: 0.926 g/cm³
• LogP: 0.74480
• Storage Temp.: Keep Cold
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 128.1008598
• Heavy Atom Count: 9
• Complexity: 81.1

Purity/Quality:

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

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

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B(C=CCCCC)(O)O
• Isomeric SMILES: B(/C=C/CCCC)(O)O
• Uses: trans-1-Hexen-1-ylboronic acid is used as an organic chemical synthesis intermediate.

Technology Process of E-Hexen-1-ylboronic acid

There total 10 articles about E-Hexen-1-ylboronic 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%

hex-1-yne (693-02-7) → (E)-1-hexenyldihydroxyborane (42599-18-8)

Guidance literature:

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

DOI:10.1016/j.bmcl.2005.03.098

Reference yield: 85.0%

hex-1-yne (693-02-7) + benzo[1,3,2]dioxaborole (274-07-7) → (E)-1-hexenyldihydroxyborane (42599-18-8)

Guidance literature:

hex-1-yne; benzo[1,3,2]dioxaborole; In tetrahydrofuran; for 18h; Reflux;

With water; at 20 ℃; for 4h;

Reference yield: 85.0%

2-[(E)-1-hexenyl]-1,3,2-benzodioxaborole (37490-22-5) → (E)-1-hexenyldihydroxyborane (42599-18-8)

Guidance literature:

With water; at 20 ℃; for 1h;

DOI:10.1016/j.bmc.2004.01.051

upstream raw materials:

2-[(E)-1-hexenyl]-1,3,2-benzodioxaborole

hex-1-yne

1-hexene

2,2'-bis(1,3,2-benzodioxaborole)

Downstream raw materials:

3-<(E)-1-hexenyl>-2-cyclohexenone

(E)-1-(phenylselenenyl)-2-(n-butyl)ethene

1-(1E)-1-hexen-1-yl-4-methylbenzene

(E)-1-Cyclohexyl-2-hepten-1-ol

Refernces

• 1、 Bi, Hong-Yan,Liu, Feng-Ping,Liang, Cui,Su, Gui-Fa,Mo, Dong-Liang. "A Tunable Route to Prepare α,β-Unsaturated Esters and α,β-Unsaturated-γ-Keto Esters through Copper-Catalyzed Coupling of Alkenyl Boronic Acids with Phosphorus Ylides". supporting information. p. 1510 - 1516. Retrieved 2018/03/05.
• 2、 -. "ASYMMETRIC ADDITION REACTIONS". Paragraph 00134. . Retrieved 2016/12/26.