2-Methylbut-3-yn-2-yl 4-methoxybenzoate

Base Information

Chemical Name:2-Methylbut-3-yn-2-yl 4-methoxybenzoate
CAS No.:294619-87-7
Molecular Formula:C₁₃H₁₄O₃
Molecular Weight:218.252
Hs Code.:
UNII:MN234D98U6
Nikkaji Number:J1.338.487H
Pharos Ligand ID:AW6WYBTLFC3P
ChEMBL ID:CHEMBL244918
Mol file:294619-87-7.mol

Synonyms:2-methylbut-3-yn-2-yl 4-methoxybenzoate;294619-87-7;1,1-dimethyl-2-propyn-1-yl 4-methoxybenzoate;CHEMBL244918;BDBM23726;MN234D98U6;STK001780;AKOS000487782;PD180572;1,1-dimethyl-2-propynyl 4-methoxybenzoate;EU-0085447;AG-205/12908103;SR-01000525786;1,1-dimethylprop-2-yn-1-yl 4-methoxybenzoate, 10;SR-01000525786-1;Benzoic acid, 4-methoxy-, 1,1-dimethyl-2-propyn-1-yl ester

Suppliers and Price of 2-Methylbut-3-yn-2-yl 4-methoxybenzoate

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
2-methylbut-3-yn-2-yl4-methoxybenzoate
50mg
$ 220.00

American Custom Chemicals Corporation
2-METHYLBUT-3-YN-2-YL 4-METHOXYBENZOATE 95.00%
5MG
$ 498.40

Total 1 raw suppliers

Chemical Property of 2-Methylbut-3-yn-2-yl 4-methoxybenzoate

Chemical Property:

Boiling Point:325.5±22.0 °C(Predicted)
Density:1.084±0.06 g/cm3(Predicted)
XLogP3:2.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:218.094294304
Heavy Atom Count:16
Complexity:290

Purity/Quality:

99% ^*data from raw suppliers

2-methylbut-3-yn-2-yl4-methoxybenzoate ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

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

Technology Process of 2-Methylbut-3-yn-2-yl 4-methoxybenzoate

There total 2 articles about 2-Methylbut-3-yn-2-yl 4-methoxybenzoate 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: 96.0%

: 100-09-4
4-methoxybenzoic acid

: 115-19-5
2-methyl-but-3-yn-2-ol

: 294619-87-7
2-methyl-3-butyl-2-yl 4-methoxybenzoate

Guidance literature:: 4-methoxybenzoic acid; With thionyl chloride; at 80 ℃; for 3h; Inert atmosphere;

2-methyl-but-3-yn-2-ol; With dmap; at 0 - 35 ℃; for 17h; Inert atmosphere;
DOI:10.1016/j.chempr.2020.02.006

Reference yield: 44.0%

: 3017-69-4
2-methyl-1-propenylbromide

: 100-07-2
4-methoxy-benzoyl chloride

: 294619-87-7
2-methyl-3-butyl-2-yl 4-methoxybenzoate

: (Z)-3-methyl buta-1,3-dienyl 4-methoxybenzoate

Guidance literature:: 2-methyl-1-propenylbromide; CrCO₆; With tert.-butyl lithium; In diethyl ether; pentane; at -78 - 20 ℃;

4-methoxy-benzoyl chloride; With dmap; In dichloromethane; at -40 - 20 ℃;
DOI:10.1016/S0040-4020(00)00216-7