1-Methyl-3-(prop-2-yn-1-yloxy)benzene

Base Information

• Chemical Name: 1-Methyl-3-(prop-2-yn-1-yloxy)benzene
• CAS No.: 5651-89-8
• Molecular Formula: C10H10O
• Molecular Weight: 146.189
• DSSTox Substance ID: DTXSID80494004
• Wikidata: Q82341047
• Mol file: 5651-89-8.mol

Synonyms:1-methyl-3-(prop-2-yn-1-yloxy)benzene;5651-89-8;1-methyl-3-prop-2-ynoxybenzene;3-Methyl-phenyl propargyl ether;SCHEMBL4815490;DTXSID80494004;CVTRRYVALLYFFO-UHFFFAOYSA-N;MFCD14631202;1-methyl-3-(prop-2-ynyloxy)benzene;AKOS008950587;AS-63375;1-Methyl-3-[(prop-2-yn-1-yl)oxy]benzene;CS-0258645;EN300-70708;W16072;Z54472997

Chemical Property of 1-Methyl-3-(prop-2-yn-1-yloxy)benzene

Chemical Property:

• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 146.073164938
• Heavy Atom Count: 11
• Complexity: 154

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC=C1)OCC#C

Technology Process of 1-Methyl-3-(prop-2-yn-1-yloxy)benzene

There total 2 articles about 1-Methyl-3-(prop-2-yn-1-yloxy)benzene 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: 100.0%

3-methyl-phenol (108-39-4) + propargyl bromide (106-96-7) → 1-methyl-3-(prop-2-yn-1-yloxy)benzene (5651-89-8)

Guidance literature:

With potassium carbonate; In acetone; Reflux;

DOI:10.1016/j.steroids.2010.02.015

Reference yield:

→ 1-methyl-3-(prop-2-yn-1-yloxy)benzene (5651-89-8)

Guidance literature:

m-Kresol, Br-CH2-C-=CH;

Reference yield: 95.0%

para-iodoanisole (696-62-8) + 1-methyl-3-(prop-2-yn-1-yloxy)benzene (5651-89-8) → 3-methyl-O-(3-(4-methoxyphenyl)prop-2-ynyl)phenol (1416005-78-1)

Guidance literature:

With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; diisopropylamine; In N,N-dimethyl-formamide; at 20 ℃; for 1h; Inert atmosphere;

DOI:10.1002/ejoc.202100092

upstream raw materials:

3-methyl-phenol

propargyl bromide

Downstream raw materials:

1,4-Dimethyl-2,4-bis-m-tolyloxymethyl-1,4-dihydro-quinoline

5'-deoxy-2',3'-O-(1-methylethylidene)-5'-{4-[(3-methylphenoxy)methyl]-1,2,3-triazol-1-yl}uridine

1-[2-(2-methyl-5-nitro-imidazol-1-yl)-ethyl]-4-m-tolyloxymethyl-1H-[1,2,3]triazole

C₃₁H₄₁N₃O₃