Benzoic acid, 4-[(1,1-dimethyl-2-propynyl)oxy]-, methyl ester

Base Information

Chemical Name:Benzoic acid, 4-[(1,1-dimethyl-2-propynyl)oxy]-, methyl ester
CAS No.:118585-44-7
Molecular Formula:C13H14O3
Molecular Weight:218.252
Hs Code.:
ChEMBL ID:CHEMBL2229455
DSSTox Substance ID:DTXSID40474120
Wikidata:Q82303921
Mol file:118585-44-7.mol

Synonyms:118585-44-7;Benzoic acid, 4-[(1,1-dimethyl-2-propynyl)oxy]-, methyl ester;CHEMBL2229455;SCHEMBL14139184;DTXSID40474120

Suppliers and Price of Benzoic acid, 4-[(1,1-dimethyl-2-propynyl)oxy]-, methyl ester

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of Benzoic acid, 4-[(1,1-dimethyl-2-propynyl)oxy]-, methyl ester

Chemical Property:

XLogP3:3
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:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C#C)OC1=CC=C(C=C1)C(=O)OC

Technology Process of Benzoic acid, 4-[(1,1-dimethyl-2-propynyl)oxy]-, methyl ester

There total 1 articles about Benzoic acid, 4-[(1,1-dimethyl-2-propynyl)oxy]-, methyl ester 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: 79.0%

: 1111-97-3
3-chloro-3-methylbut-1-yne

: 99-76-3,156291-94-0
methyl 4-hydroxylbenzoate

: 118585-44-7
methyl 4-(1,1-dimethyl-2-propynyloxy)benzoate

Guidance literature:: With potassium carbonate; potassium iodide; In acetone; at 49 - 53 ℃; for 48h;
DOI:10.1021/np020415t

Reference yield: 100.0%

: 118585-44-7
methyl 4-(1,1-dimethyl-2-propynyloxy)benzoate

: 4-(1,1-dimethyl-allyloxy)-benzoic acid methyl ester

Guidance literature:: With hydrogen; Lindlar's catalyst; In hexane; at 25 ℃; for 3h;
DOI:10.1021/ja002033k

Reference yield:

: 118585-44-7
methyl 4-(1,1-dimethyl-2-propynyloxy)benzoate

: 101511-34-6
methyl-4-methoxy-3-(3’-methyl-2’-butenyl)benzoate

Guidance literature:: Multi-step reaction with 2 steps

1: 100 percent / hydrogen / Lindlar's catalyst / hexane / 3 h / 25 °C

2: 72 percent / N,N-dimethyl-aniline / 1 h / 195 °C

With hydrogen; Lindlar's catalyst; In hexane; N,N-dimethyl-aniline;
DOI:10.1021/ja002033k