3-(3-hydroxyprop-1-ynyl)benzoic Acid

Base Information

Chemical Name:3-(3-hydroxyprop-1-ynyl)benzoic Acid
CAS No.:132545-15-4
Molecular Formula:C10H8O3
Molecular Weight:176.172
Hs Code.:2918199090
European Community (EC) Number:630-222-9
DSSTox Substance ID:DTXSID00407818
Mol file:132545-15-4.mol

Synonyms:3-(3-hydroxyprop-1-ynyl)benzoic Acid;132545-15-4;3-(3-Hydroxy-prop-1-ynyl)-benzoic acid;3-(3-hydroxyprop-1-yn-1-yl)benzoic acid;Benzoic acid,3-(3-hydroxy-1-propyn-1-yl)-;DTXSID00407818;MFCD04039089;AKOS006229627;AT20407;3-(3-Hydroxy-prop-1-ynyl)-benzoicacid;CS-0215954;FT-0740663;Benzoic acid, 3-(3-hydroxy-1-propyn-1-yl)-;EN300-314730;3-(3-hydroxy-prop-1-ynyl)-benzoic acid, AldrichCPR;F2167-5505

Suppliers and Price of 3-(3-hydroxyprop-1-ynyl)benzoic 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
3-(3-Hydroxyprop-1-ynyl)benzoicAcid
500mg
$ 350.00

Crysdot
3-(3-Hydroxy-prop-1-ynyl)-benzoicacid 95+%
1g
$ 731.00

CHESS?
CA024366:3-(3-Hydroxy-prop-1-ynyl)-benzoicacid 98
1 g
$ 216.00

CHESS?
CA024366:3-(3-Hydroxy-prop-1-ynyl)-benzoicacid 98
5 g
$ 660.00

American Custom Chemicals Corporation
3-(3-HYDROXY-PROP-1-YNYL)-BENZOIC ACID 95.00%
2.5G
$ 1158.52

American Custom Chemicals Corporation
3-(3-HYDROXY-PROP-1-YNYL)-BENZOIC ACID 95.00%
1G
$ 810.35

AK Scientific
3-(3-Hydroxyprop-1-ynyl)benzoicAcid
2.5g
$ 1451.00

AK Scientific
3-(3-Hydroxyprop-1-ynyl)benzoicAcid
500mg
$ 628.00

AHH
3-(3-hydroxyprop-1-ynyl)benzoicacid 97%
1g
$ 680.00

Total 6 raw suppliers

Chemical Property of 3-(3-hydroxyprop-1-ynyl)benzoic Acid

Chemical Property:

Vapor Pressure:7.39E-07mmHg at 25°C
Refractive Index:1.627
Boiling Point:392.3 °C at 760 mmHg
Flash Point:205.2 °C
PSA：57.53000
Density:1.34g/cm³
LogP:0.72860
XLogP3:1.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:176.047344113
Heavy Atom Count:13
Complexity:245

Purity/Quality:

99% ^*data from raw suppliers

3-(3-Hydroxyprop-1-ynyl)benzoicAcid ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xi
Hazard Codes:Xi
Statements: 36
Safety Statements: 26

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CC(=C1)C(=O)O)C#CCO

Technology Process of 3-(3-hydroxyprop-1-ynyl)benzoic Acid

There total 1 articles about 3-(3-hydroxyprop-1-ynyl)benzoic 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: 80.0%

: 107-19-7
propargyl alcohol

: 618-51-9
3-Iodobenzoic acid

: 132545-15-4
3-(3-hydroxy-1-propynyl)benzoic acid

Guidance literature:: With triethylamine; triphenylphosphine; copper(l) iodide; Na₂{PdCl₂(Ph₂P(m-C₆H₄SO₃))2}; In water; at 25 ℃; for 1h;
DOI:10.1007/BF00958876

Reference yield:

: 132545-15-4
3-(3-hydroxy-1-propynyl)benzoic acid

: C₁₀H₇BrO₂

Guidance literature:: With phosphorus tribromide; In dichloromethane; at -50 - 0 ℃; for 3h;
DOI:10.1016/j.ejmech.2017.04.014

Reference yield:

: C₂H₆NPolS

: 132545-15-4
3-(3-hydroxy-1-propynyl)benzoic acid

: C₁₂H₁₃NO₂S

Guidance literature:: C₂H₆NPolS; 3-(3-hydroxy-1-propynyl)benzoic acid; With ethyl cyanoglyoxylate-2-oxime; diisopropyl-carbodiimide; In N,N-dimethyl-formamide; at 20 ℃; 2-chlorotrityl resin

With trifluoroacetic acid; In dichloromethane; at 20 ℃; 2-chlorotrityl resin Further stages;
DOI:10.1021/jacs.0c10629