(4-Hexylthiophen-2-yl)boronic acid

Base Information

Chemical Name:(4-Hexylthiophen-2-yl)boronic acid
CAS No.:748763-44-2
Molecular Formula:C₁₀H₁₇BO₂S
Molecular Weight:212.121
Hs Code.:
DSSTox Substance ID:DTXSID00701227
Nikkaji Number:J1.788.399B
Wikidata:Q82632821
Mol file:748763-44-2.mol

Synonyms:748763-44-2;(4-hexylthiophen-2-yl)boronic acid;(4-Hexyl-2-thienyl)-boronic acid;4-Hexylthiophene-2-boronic acid;SCHEMBL793134;4-Hexyl-2-thienylboronic acid;DTXSID00701227

Suppliers and Price of (4-Hexylthiophen-2-yl)boronic acid

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 7 raw suppliers

Chemical Property of (4-Hexylthiophen-2-yl)boronic acid

Chemical Property:

Boiling Point:359.737 °C at 760 mmHg
PKA:8.58±0.53(Predicted)
Flash Point:171.363 °C
PSA：68.70000
Density:1.085 g/cm³
LogP:1.55070
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:212.1042311
Heavy Atom Count:14
Complexity:155

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:B(C1=CC(=CS1)CCCCCC)(O)O

Technology Process of (4-Hexylthiophen-2-yl)boronic acid

There total 2 articles about (4-Hexylthiophen-2-yl)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: 40.0%

: 1693-86-3
3-hexylthiophene

: 748763-44-2
(4-hexylthiophen-2-yl)boronic acid

Guidance literature:: 3-hexylthiophene; With lithium diisopropyl amide; In tetrahydrofuran; n-heptane; ethylbenzene; for 1h;

With Trimethyl borate; In tetrahydrofuran; n-heptane; ethylbenzene; at 20 ℃;

With hydrogenchloride; Further stages.;
DOI:10.1039/b000123f

Reference yield:

: 3761-92-0
n-hexylmagnesium bromide

: 748763-44-2
(4-hexylthiophen-2-yl)boronic acid

Guidance literature:: Multi-step reaction with 2 steps

1.1: Ni(dppp)Cl₂ / diethyl ether

2.1: n-BuLi; i-Pr₂NH / hexane; tetrahydrofuran / 3 h / -78 - 20 °C

2.2: B(OCH₃)3 / hexane; tetrahydrofuran / -78 - 20 °C

2.3: HCl / tetrahydrofuran; hexane; H₂O

With n-butyllithium; diisopropylamine; 1,3-bis[(diphenylphosphino)propane]dichloronickel(II); In tetrahydrofuran; diethyl ether; hexane;
DOI:10.1021/jo011146z

Reference yield: 70.0%

: 124561-55-3
3-Hexyl-2-iodothiophene

: 748763-44-2
(4-hexylthiophen-2-yl)boronic acid

: 135926-93-1
3,4'-dihexyl-2,2'-bithiophene

Guidance literature:: With water; sodium hydrogencarbonate; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In 1,2-dimethoxyethane; for 3h; Heating;
DOI:10.1039/b000123f