Methyl 2-(4-ethynylphenyl)acetate

Base Information

Chemical Name:Methyl 2-(4-ethynylphenyl)acetate
CAS No.:154498-13-2
Molecular Formula:C₁₁H₁₀O₂
Molecular Weight:174.199
Hs Code.:
European Community (EC) Number:870-293-5

Synonyms:4-Ethynyl-benzeneacetic acid Methyl ester;154498-13-2;methyl 2-(4-ethynylphenyl)acetate;SCHEMBL8825194;JREQRTIHRUYCFD-UHFFFAOYSA-N;4-Ethynyl-benzeneaceticacidMethylester;4-ethinylphenylacetic acid methyl ester;CS-0310533;F80399;EN300-7432531;A1-16788

Suppliers and Price of Methyl 2-(4-ethynylphenyl)acetate

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

AK Scientific
4-Ethynyl-benzeneaceticacidMethylester
250mg
$ 595.00

Activate Scientific
4-Ethynyl-benzeneacetic acid methyl ester 95%
1 g
$ 505.00

Acrotein
4-Ethynyl-benzeneaceticacidmethylester 97%
1g
$ 403.33

Acrotein
4-Ethynyl-benzeneaceticacidmethylester 97%
0.5g
$ 265.83

A1 Biochem Labs
4-Ethynyl-benzeneaceticacidmethylester 95%
2.5 g
$ 1000.00

Total 3 raw suppliers

Chemical Property of Methyl 2-(4-ethynylphenyl)acetate

Chemical Property:

XLogP3:2.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:174.068079557
Heavy Atom Count:13
Complexity:216

Purity/Quality:

99% ^*data from raw suppliers

4-Ethynyl-benzeneaceticacidMethylester ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:COC(=O)CC1=CC=C(C=C1)C#C

Technology Process of Methyl 2-(4-ethynylphenyl)acetate

There total 5 articles about Methyl 2-(4-ethynylphenyl)acetate 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: 93.8%

: 67-56-1
methanol

: 1346570-22-6
ethyl 2-(4-((trimethylsilyl)ethynyl)phenyl)acetate

: 154498-13-2
methyl 2-(4-ethynylphenyl)acetate

Guidance literature:: With potassium carbonate; at 0 - 20 ℃; for 1h;

Reference yield:

: 154498-12-1
methyl 2-(4-(2-(trimethylsilyl)ethynyl)phenyl)acetate

: 154498-13-2
methyl 2-(4-ethynylphenyl)acetate

Guidance literature:: With tetrabutyl ammonium fluoride; In acetonitrile; for 1h; Yield given; Ambient temperature;
DOI:10.1021/jm9608671

Reference yield:

: 1798-06-7
(4-iodophenyl)acetic acid

: 154498-13-2
methyl 2-(4-ethynylphenyl)acetate

Guidance literature:: Multi-step reaction with 3 steps

1: 82 percent / DCC, 4-(dimethylamino)pyridine / CH₂Cl₂ / 1.) 0 deg C, 1 h, 2.) RT, 16 h

2: (PPh₃)2PdCl₂, CuI, Et₃N / acetonitrile / 1 h / Ambient temperature

3: n-Bu₄NF / acetonitrile / 1 h / Ambient temperature

With dmap; bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; tetrabutyl ammonium fluoride; triethylamine; dicyclohexyl-carbodiimide; In dichloromethane; acetonitrile;
DOI:10.1021/jm9608671