5-Formyl-2-thiopheneboronic acid

The Boronic acid,B-(5-formyl-2-thienyl)-, with the CAS registry number 4347-33-5, has the systematic name of benzyl (5-formylthiophen-2-yl)boronic acid. It belongs to the following product categories: Aldehydes; Azoles; Blocks; BoronicAcids; Boronic Acids & Esters; Thiophenes & Benzothiophenes; Boronic acids; Boronic Acid; Organoborons; Thiophene; B (Classes of Boron Compounds); Boronic Acids & Esters; Thiophenes & Benzothiophenes; Boronic Acids; Boronic Acids and Derivatives; Heteroaryl. It is a kind of air sensitive chemical, and should be kept cold. And the molecular formula of the chemical is C₅H₅BO₃S.

The characteristics of Boronic acid,B-(5-formyl-2-thienyl)- are as followings: (1)ACD/LogP: 0.39; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.38; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1.15; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 38.17; (8)ACD/KOC (pH 7.4): 15.67; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 63.77 Å²; (13)Index of Refraction: 1.573; (14)Molar Refractivity: 36.39 cm³; (15)Molar Volume: 110.4 cm³; (16)Polarizability: 14.42×10^-24cm³; (17)Surface Tension: 57.2 dyne/cm; (18)Density: 1.41 g/cm³; (19)Flash Point: 192.7 °C; (20)Enthalpy of Vaporization: 68.04 kJ/mol; (21)Boiling Point: 395.1 °C at 760 mmHg; (22)Vapour Pressure: 5.96E-07 mmHg at 25°C.  

Uses of Boronic acid,B-(5-formyl-2-thienyl)-: It can react with 1-iodo-2-nitro-benzene to produce 5-(2-nitro-phenyl)-thiophene-2-carbaldehyde. This reaction will need reagent (Ph₃P)₂PdCl₂ and Na₂CO₃, and the menstruum 1,2-dimethoxy-ethane, ethanol and H₂O. The reaction temperature is 50°C, and the yield is about 46%. 

   
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=Cc1sc(B(O)O)cc1
(2)InChI: InChI=1/C5H5BO3S/c7-3-4-1-2-5(10-4)6(8)9/h1-3,8-9H
(3)InChIKey: DEQOVKFWRPOPQP-UHFFFAOYAM