3-(4-boronophenyl)propanoic Acid

Base Information

Chemical Name:3-(4-boronophenyl)propanoic Acid
CAS No.:166316-48-9
Molecular Formula:C9H11BO4
Molecular Weight:193.995
Hs Code.:2931900090
European Community (EC) Number:681-349-1
DSSTox Substance ID:DTXSID60397544
Wikidata:Q72451104
Mol file:166316-48-9.mol

Synonyms:166316-48-9;3-(4-boronophenyl)propanoic Acid;4-(2-Carboxyethyl)phenylboronic acid;4-(2-Carboxyethyl)benzeneboronic acid;3-[4-(dihydroxyboranyl)phenyl]propanoic acid;4-Boronobenzenepropanoic acid;MFCD01318119;3-(4-Boronophenyl)propionic acid;SCHEMBL363489;DTXSID60397544;VPSARXNVXCRDIV-UHFFFAOYSA-N;3-(4-boronophenyl)-propanoic acid;AMY29916;4-(2-Carboxyethyl)benzeneboronicacid;4-(2-carboxyethyl)phenyl boronic acid;AKOS006228214;AB08635;[4-(2-carboxyethyl)phenyl]boronic acid;4-(2-carboxyethyl)benzene boronic acid;4-(2-carboxyethyl) benzene boronic acid;BENZENEPROPANOIC ACID, 4-BORONO-;AS-61157;CS-0174548;FT-0616518;E77002;EN300-7381773;4-(2-carboxyethyl)benzeneboronic acid, AldrichCPR;A810716

Suppliers and Price of 3-(4-boronophenyl)propanoic 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

TRC
4-(2-Carboxyethyl)phenylboronicacid
100mg
$ 45.00

SynQuest Laboratories
4-(2-Carboxyethyl)benzeneboronic acid
5 g
$ 400.00

SynQuest Laboratories
4-(2-Carboxyethyl)benzeneboronic acid
1 g
$ 112.00

Crysdot
3-(4-Boronophenyl)propanoicacid 97%
1g
$ 102.00

Crysdot
3-(4-Boronophenyl)propanoicacid 97%
5g
$ 311.00

Biosynth Carbosynth
4-(2-Carboxyethyl)phenylboronicacid
250 mg
$ 50.00

Biosynth Carbosynth
4-(2-Carboxyethyl)phenylboronicacid
500 mg
$ 80.00

Biosynth Carbosynth
4-(2-Carboxyethyl)phenylboronicacid
2 g
$ 220.00

Biosynth Carbosynth
4-(2-Carboxyethyl)phenylboronicacid
1 g
$ 120.00

Biosynth Carbosynth
4-(2-Carboxyethyl)phenylboronicacid
5 g
$ 425.00

Total 26 raw suppliers

Chemical Property of 3-(4-boronophenyl)propanoic Acid

Chemical Property:

Vapor Pressure:8.92E-08mmHg at 25°C
Melting Point:158-160 °C
Refractive Index:1.56
Boiling Point:419.179 °C at 760 mmHg
PKA:4.63±0.10(Predicted)
Flash Point:207.312 °C
PSA：77.76000
Density:1.286 g/cm³
LogP:-0.61640
Storage Temp.:under inert gas (nitrogen or Argon) at 2-8°C
Water Solubility.:Slightly soluble in water.
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:194.0750390
Heavy Atom Count:14
Complexity:187

Purity/Quality:

97% ^*data from raw suppliers

4-(2-Carboxyethyl)phenylboronicacid ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xi
Hazard Codes:Xi,Xn
Statements: 36/37/38-36-22
Safety Statements: 26-36/37/39

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:B(C1=CC=C(C=C1)CCC(=O)O)(O)O
Uses 4-(2-Carboxyethyl)benzeneboronic acid is an important organic intermediate. It is used in agrochemical, pharmaceutical and dyestuff field.

Technology Process of 3-(4-boronophenyl)propanoic Acid

There total 4 articles about 3-(4-boronophenyl)propanoic 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: 82.0%

: ethyl 3-(4-[1,3,2]dioxaborinan-2-yl-phenyl)propanoate

: 166316-48-9
4-(2-carboxyethyl)benzeneboronic acid

Guidance literature:: With sodium hydroxide; for 3h; Heating;
DOI:10.1016/S0022-328X(02)01383-9

Reference yield: 76.0%

: 490035-79-5
ethyl 3-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]propanoate

: 166316-48-9
4-(2-carboxyethyl)benzeneboronic acid

Guidance literature:: With sodium hydroxide; sulfuric acid; 2,2'-iminobis[ethanol]; In diethyl ether; water; soln. diethanolamine in isopropanol was added to protected boronic acid at 0°C and stirred for 3 h, Et2O was added, ppt. was filtered off, mixt. aq. H2SO4 and Et2O was added and stirred, Et2O soln. was separated, washed with water, and evapd.; residue was refluxed with 3 M NaOH for 3 h, cooled to 0°C and acidified with conc. HCl, ppt. was filtered off, washed with water, and dried; elem. anal.;
DOI:10.1016/S0022-328X(02)01383-9