Methyl 3-(3-hydroxy-3-methyl-1-butynyl)benzoate

Base Information

Chemical Name:Methyl 3-(3-hydroxy-3-methyl-1-butynyl)benzoate
CAS No.:33577-97-8
Molecular Formula:C13H14O3
Molecular Weight:218.252
Hs Code.:
DSSTox Substance ID:DTXSID50540865
Wikidata:Q82416995
Mol file:33577-97-8.mol

Synonyms:33577-97-8;METHYL 3-(3-HYDROXY-3-METHYL-1-BUTYNYL)BENZOATE;methyl 3-(3-hydroxy-3-methylbut-1-yn-1-yl)benzoate;methyl 3-(3-hydroxy-3-methylbut-1-ynyl)benzoate;SCHEMBL3942298;DTXSID50540865;MFCD06803769;AKOS004118075;D84376

Suppliers and Price of Methyl 3-(3-hydroxy-3-methyl-1-butynyl)benzoate

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

Labseeker
methyl3-(3-hydroxy-3-methyl-1-butynyl)benzoate 95
25g
$ 3208.00

Labseeker
methyl3-(3-hydroxy-3-methyl-1-butynyl)benzoate 95
10g
$ 2475.00

Labseeker
methyl3-(3-hydroxy-3-methyl-1-butynyl)benzoate 95
5g
$ 1833.00

Total 6 raw suppliers

Chemical Property of Methyl 3-(3-hydroxy-3-methyl-1-butynyl)benzoate

Chemical Property:

PSA：46.53000
LogP:1.59560
XLogP3:2.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:218.094294304
Heavy Atom Count:16
Complexity:319

Purity/Quality:

99% ^*data from raw suppliers

methyl3-(3-hydroxy-3-methyl-1-butynyl)benzoate 95 ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of Methyl 3-(3-hydroxy-3-methyl-1-butynyl)benzoate

There total 2 articles about Methyl 3-(3-hydroxy-3-methyl-1-butynyl)benzoate 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: 95.0%

: 618-89-3
methyl 3-bromobenzoate

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

: 33577-97-8
3-(3-hydroxy-3-methylbut-1-ynyl)benzoic acid methyl ester

Guidance literature:: With copper(l) iodide; triethylamine; bis-triphenylphosphine-palladium(II) chloride; In acetonitrile; at 80 ℃; for 48h;
DOI:10.1021/ol7018086

Reference yield:

: 33577-97-8
3-(3-hydroxy-3-methylbut-1-ynyl)benzoic acid methyl ester

Guidance literature:: Hydrolyse von Acetal III-m;
DOI:10.1007/BF00857429

Reference yield: 78.0%

: 33577-97-8
3-(3-hydroxy-3-methylbut-1-ynyl)benzoic acid methyl ester

: 79-22-1
methyl chloroformate

: 952527-66-1
3-(3-methoxycarbonyloxy-3-methyl-but-1-ynyl)-benzoic acid methyl ester

Guidance literature:: 3-(3-hydroxy-3-methylbut-1-ynyl)benzoic acid methyl ester; With n-butyllithium; In tetrahydrofuran; at -78 ℃; for 0.5h;

methyl chloroformate; In tetrahydrofuran; at 0 ℃; for 3h; Further stages.;
DOI:10.1021/ol7018086