Benzene, [[(1-methyl-3-butynyl)oxy]methyl]-

Base Information

Chemical Name:Benzene, [[(1-methyl-3-butynyl)oxy]methyl]-
CAS No.:75405-49-1
Molecular Formula:C12H14O
Molecular Weight:174.243
Hs Code.:
DSSTox Substance ID:DTXSID20460107
Nikkaji Number:J1.376.499I

Synonyms:75405-49-1;Benzene, [[(1-methyl-3-butynyl)oxy]methyl]-;SCHEMBL4165179;DTXSID20460107

Suppliers and Price of Benzene, [[(1-methyl-3-butynyl)oxy]methyl]-

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

Total 1 raw suppliers

Chemical Property of Benzene, [[(1-methyl-3-butynyl)oxy]methyl]-

Chemical Property:

XLogP3:2.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:4
Exact Mass:174.104465066
Heavy Atom Count:13
Complexity:171

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(CC#C)OCC1=CC=CC=C1

Technology Process of Benzene, [[(1-methyl-3-butynyl)oxy]methyl]-

There total 2 articles about Benzene, [[(1-methyl-3-butynyl)oxy]methyl]- 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: 99.0%

: 67-56-1
methanol

: 2117-11-5
4-pentyn-2-ol

: 100-39-0
benzyl bromide

: 75405-49-1
2-benzyloxypent-4-yne

Guidance literature:: With tetra-(n-butyl)ammonium iodide; In tetrahydrofuran; aqueous sodium chloride; hexane;

Reference yield: 83.0%

: 2117-11-5
4-pentyn-2-ol

: 100-39-0
benzyl bromide

: 75405-49-1
2-benzyloxypent-4-yne

Guidance literature:: 4-pentyn-2-ol; With sodium hydride; In tetrahydrofuran; at 0 - 20 ℃;

benzyl bromide; In tetrahydrofuran; at 20 ℃; for 3h;
DOI:10.3762/bjoc.8.65

Reference yield: 98.0%

: 108-29-2
5-methyl-dihydro-furan-2-one

: 75405-49-1
2-benzyloxypent-4-yne

: 616240-09-6
9-benzyloxy-2-hydroxy-dec-6-yn-5-one

Guidance literature:: 2-benzyloxypent-4-yne; With n-butyllithium; In tetrahydrofuran; at -78 ℃; for 0.333333h;

With boron trifluoride diethyl etherate; In tetrahydrofuran; at -78 ℃; for 0.166667h;

5-methyl-dihydro-furan-2-one; In tetrahydrofuran; at -78 - 20 ℃; for 1h;