4-(3-hydroxyprop-1-ynyl)benzoic Acid

Base Information

Chemical Name:4-(3-hydroxyprop-1-ynyl)benzoic Acid
CAS No.:63197-50-2
Molecular Formula:C10H8O3
Molecular Weight:176.16900
Hs Code.:2918199090
European Community (EC) Number:630-112-0
DSSTox Substance ID:DTXSID10409560
Nikkaji Number:J2.150.066F
Wikidata:Q82215417

Synonyms:63197-50-2;4-(3-hydroxyprop-1-ynyl)benzoic Acid;4-(3-hydroxyprop-1-yn-1-yl)benzoic acid;4-(3-Hydroxy-prop-1-ynyl)-benzoic acid;SCHEMBL7679694;DTXSID10409560;AKOS006229598;4-(3-hydroxyprop-1-yn-1-yl)benzoicacid;CS-0266309;FT-0752634;EN300-330030;F2167-5507

Suppliers and Price of 4-(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

Crysdot
4-(3-Hydroxyprop-1-yn-1-yl)benzoicacid 95+%
1g
$ 731.00

CHESS?
CA024367:4-(3-Hydroxy-prop-1-ynyl)-benzoicacid 98
1 g
$ 276.00

American Custom Chemicals Corporation
4-(3-HYDROXY-PROP-1-YNYL)-BENZOIC ACID 95.00%
5MG
$ 495.21

AHH
4-(3-hydroxyprop-1-ynyl)benzoicacid 97%
1g
$ 720.00

Total 4 raw suppliers

Chemical Property of 4-(3-hydroxyprop-1-ynyl)benzoic Acid

Chemical Property:

PSA：57.53000
LogP:0.72860
XLogP3:1.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:176.047344113
Heavy Atom Count:13
Complexity:237

Purity/Quality:

99% ^*data from raw suppliers

4-(3-Hydroxyprop-1-yn-1-yl)benzoicacid 95+% ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xi
Hazard Codes:Xi

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CC=C1C#CCO)C(=O)O

Technology Process of 4-(3-hydroxyprop-1-ynyl)benzoic Acid

There total 3 articles about 4-(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: 89.0%

: 107-19-7
propargyl alcohol

: 63197-50-2
4-(3-hydroxy-1-propynyl)benzoic acid

Guidance literature:: PEG 4000 bound 4-iodobenzoic acid; With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; potassium carbonate; for 0.025h; microwave irradiation;

propargyl alcohol; With sodium hydroxide; for 0.0333333h; microwave irradiation;

Reference yield: 78.0%

: 619-58-9
4-iodobenzoic acid

: 107-19-7
propargyl alcohol

: 63197-50-2
4-(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; other aryl iodides;
DOI:10.1007/BF00958876

Reference yield:

: polystyrene, 1 percent crosslinked, with -CH₂NHCOCH=CHCH₂OCOC₆H₄-p-I groups

: polystyrene, 1 percent cross-linked, with -CH₂NHCOCH=CHCH₂OCH₂CCH groups

: 63197-50-2
4-(3-hydroxy-1-propynyl)benzoic acid

Guidance literature:: With morpholine; copper(l) iodide; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In dichloromethane; water;
DOI:10.1016/j.tet.2004.12.029