Methyl 3-ethynylbenzoate

Base Information

Chemical Name:Methyl 3-ethynylbenzoate
CAS No.:10602-06-9
Molecular Formula:C10H8O2
Molecular Weight:160.172
Hs Code.:2916399090
European Community (EC) Number:688-935-6
DSSTox Substance ID:DTXSID30460794
Nikkaji Number:J692.384D
Wikidata:Q82284944
Mol file:10602-06-9.mol

Synonyms:Methyl 3-ethynylbenzoate;10602-06-9;3-ETHYNYL-BENZOIC ACID METHYL ESTER;3-Ethynylbenzoic acid methyl ester;MFCD08703579;Methyl3-Ethynylbenzoate;BENZOIC ACID, 3-ETHYNYL-, METHYL ESTER;SCHEMBL166803;DTXSID30460794;DDXZMLZQQWVSRX-UHFFFAOYSA-N;3-ethinylbenzoic acid methyl ester;Benzoic acid,3-ethynyl-,methyl ester;AKOS006229911;AB48503;AM85468;CS-W005738;FS-2417;SY033191;EN300-1827776;A895906

Suppliers and Price of Methyl 3-ethynylbenzoate

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

Acrotein
3-Ethynyl-benzoicacidmethylester 97%
1g
$ 119.17

Activate Scientific
Methyl 3-ethynylbenzoate 95%
1 g
$ 112.00

Activate Scientific
Methyl 3-ethynylbenzoate 95%
5 g
$ 349.00

Activate Scientific
Methyl 3-ethynylbenzoate 95%
25 g
$ 838.00

AK Scientific
Methyl3-ethynylbenzoate
25g
$ 525.00

AK Scientific
Methyl3-ethynylbenzoate
10g
$ 361.00

AK Scientific
Methyl3-ethynylbenzoate
1g
$ 49.00

Ambeed
Methyl3-ethynylbenzoate 97%
1g
$ 57.00

Ambeed
Methyl3-ethynylbenzoate 97%
25g
$ 320.00

Ambeed
Methyl3-ethynylbenzoate 97%
5g
$ 173.00

Total 41 raw suppliers

Chemical Property of Methyl 3-ethynylbenzoate

Chemical Property:

Appearance/Colour:white crystal powder
Vapor Pressure:0.0208mmHg at 25°C
Melting Point:53.5-55℃
Refractive Index:1.537
Boiling Point:251.1 °C at 760 mmHg
Flash Point:98 °C
PSA：26.30000
Density:1.11 g/cm³
LogP:1.45450
Storage Temp.:under inert gas (nitrogen or Argon) at 2-8°C
XLogP3:2.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:160.052429494
Heavy Atom Count:12
Complexity:211

Purity/Quality:

99%, ^*data from raw suppliers

3-Ethynyl-benzoicacidmethylester 97% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC(=O)C1=CC=CC(=C1)C#C
Uses Methyl 3-ethynylbenzoate is a useful research chemical.

Technology Process of Methyl 3-ethynylbenzoate

There total 13 articles about Methyl 3-ethynylbenzoate 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: 98.0%

: 77123-59-2
methyl 3-<(trimethylsilyl)ethynyl>benzoate

: 10602-06-9
methyl 3-ethynylbenzoate

Guidance literature:: With tetrabutyl ammonium fluoride; acetic acid; In tetrahydrofuran; at 0 ℃; for 1h;
DOI:10.1021/acs.jmedchem.8b01512

Reference yield: 96.0%

: 67-56-1
methanol

: 914943-91-2
tert-butyl 3-ethynylbenzoate

: 10602-06-9
methyl 3-ethynylbenzoate

Guidance literature:: tert-butyl 3-ethynylbenzoate; With trifluoroacetic acid; In dichloromethane; at 20 ℃; for 3h;

methanol; With sulfuric acid; at 65 ℃; for 20h;