Methyl 3-ethynyl-4-methylbenzoate

Base Information

Chemical Name:Methyl 3-ethynyl-4-methylbenzoate
CAS No.:1255099-13-8
Molecular Formula:C₁₁H₁₀O₂
Molecular Weight:174.199
Hs Code.:
European Community (EC) Number:872-847-1
DSSTox Substance ID:DTXSID70695149
Mol file:1255099-13-8.mol

Synonyms:methyl 3-ethynyl-4-methylbenzoate;1255099-13-8;METHYL 3-ETHYNYL-4-METHYLBENZATE;3-Ethynyl-4-methyl-benzoic acid methyl ester;SCHEMBL11297044;methyl3-ethynyl-4-methylbenzoate;DTXSID70695149;IJWDCLWLOGCXOQ-UHFFFAOYSA-N;BCP16983;MFCD17926442;CS-W000475;AS-37984;FT-0738749;EN300-2566495;A910614

Suppliers and Price of Methyl 3-ethynyl-4-methylbenzoate

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
Methyl3-Ethynyl-4-methylbenzate
100mg
$ 200.00

Crysdot
Methyl3-ethynyl-4-methylbenzoate 95+%
1g
$ 425.00

Chemenu
Methyl3-ethynyl-4-methylbenzoate 95%
1g
$ 397.00

Alichem
Methyl3-ethynyl-4-methylbenzoate
1g
$ 511.56

Alichem
Methyl3-ethynyl-4-methylbenzoate
5g
$ 1535.66

AK Scientific
methyl3-ethynyl-4-methylbenzoate
1g
$ 968.00

Total 7 raw suppliers

Chemical Property of Methyl 3-ethynyl-4-methylbenzoate

Chemical Property:

Boiling Point:273.9±33.0 °C(Predicted)
Density:1.09±0.1 g/cm3(Predicted)
XLogP3:2.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:174.068079557
Heavy Atom Count:13
Complexity:236

Purity/Quality:

97% ^*data from raw suppliers

Methyl3-Ethynyl-4-methylbenzate ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1=C(C=C(C=C1)C(=O)OC)C#C

Technology Process of Methyl 3-ethynyl-4-methylbenzoate

There total 8 articles about Methyl 3-ethynyl-4-methylbenzoate 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%

: methyl 4-methyl-3-[2-(trimethylsilyl)ethynyl]benzoate

: 1255099-13-8
methyl 3-ethynyl-4-methylbenzoate

Guidance literature:: With water; potassium hydroxide; In methanol; at 20 ℃; for 0.5h;
DOI:10.1002/cmdc.202000303

Reference yield: 90.0%

: 90347-66-3
methyl 3-iodo-4-methylbenzoate

: 1066-54-2
trimethylsilylacetylene

: 1255099-13-8
methyl 3-ethynyl-4-methylbenzoate

Guidance literature:: methyl 3-iodo-4-methylbenzoate; trimethylsilylacetylene; With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; copper(l) iodide; triethylamine; In acetonitrile; at 80 ℃; for 2h; Inert atmosphere;

With potassium carbonate; at 20 ℃; for 3h; Inert atmosphere;
DOI:10.1080/14756366.2016.1250757