1-tert-Butoxy-4-ethynylbenzene

Base Information

Chemical Name:1-tert-Butoxy-4-ethynylbenzene
CAS No.:32569-86-1
Molecular Formula:C12H14O
Molecular Weight:174.24
Hs Code.:2902909090
DSSTox Substance ID:DTXSID30699062
Wikidata:Q82629754
Mol file:32569-86-1.mol

Synonyms:1-tert-Butoxy-4-ethynylbenzene;32569-86-1;1093192-41-6;1-(TERT-BUTOXY)-4-ETHYNYLBENZENE;4-(T-BUTOXY)PHENYLACETYLENE;1-ethynyl-4-[(2-methylpropan-2-yl)oxy]benzene;Benzene, 1-(1,1-dimethylethoxy)-4-ethynyl-;SCHEMBL3018959;1-tert-Butoxy-4-ethynyl-benzene;DTXSID30699062;GMFHQLHPNOSAFN-UHFFFAOYSA-N;AKOS006237622;1-(1,1-Dimethylethoxy)-4-ethynyl-Benzene;A18074;EN300-312798

Suppliers and Price of 1-tert-Butoxy-4-ethynylbenzene

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
1-(tert-butoxy)-4-ethynylbenzene
100mg
$ 330.00

GFS CHEMICALS
4(T-BUTOXY)PHENYLACETYLEN
5 G
$ 229.15

Total 4 raw suppliers

Chemical Property of 1-tert-Butoxy-4-ethynylbenzene

Chemical Property:

Boiling Point:236.4±13.0 °C(Predicted)
PSA：9.23000
Density:0.97±0.1 g/cm3(Predicted)
LogP:2.84520
XLogP3:3.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:174.104465066
Heavy Atom Count:13
Complexity:195

Purity/Quality:

97% ^*data from raw suppliers

1-(tert-butoxy)-4-ethynylbenzene ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of 1-tert-Butoxy-4-ethynylbenzene

There total 11 articles about 1-tert-Butoxy-4-ethynylbenzene 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: 88.0%

: 865-47-4
potassium tert-butylate

: 28995-88-2
1-methyl-4-((phenylethynyl)sulfonyl)benzene

: 32569-86-1
tert-butyl phenylacetylenyl ether

Guidance literature:: In tetrahydrofuran; at -43 - 20 ℃; for 2.16667h; regioselective reaction;
DOI:10.1002/ejoc.201300395

Reference yield: 70.0%

: 1436595-00-4
N,N-diethyl-2-phenylethynesulfonamide

: 865-47-4
potassium tert-butylate

: 32569-86-1
tert-butyl phenylacetylenyl ether

Guidance literature:: In N,N-dimethyl-formamide; at 20 ℃; for 0.333333h; Inert atmosphere;
DOI:10.1002/chem.201203015

Reference yield: 56.0%

: C₁₆H₂₅O₅P

: 32569-86-1
tert-butyl phenylacetylenyl ether

Guidance literature:: C₁₆H₂₅O₅P; With potassium tert-butylate; In tetrahydrofuran; at -78 ℃; Inert atmosphere;

With n-butyllithium; In tetrahydrofuran; cyclohexane; at -78 ℃; Inert atmosphere;
DOI:10.1021/ol802147h