1-(2-Bromo-1-methoxy-1-prop-2-ynoxyethyl)-4-methylbenzene

Base Information

• Chemical Name: 1-(2-Bromo-1-methoxy-1-prop-2-ynoxyethyl)-4-methylbenzene
• CAS No.: 118668-64-7
• Molecular Formula: C₁₃H₁₅BrO₂
• Molecular Weight: 283.165
• DSSTox Substance ID: DTXSID70552622
• Mol file: 118668-64-7.mol

Synonyms:118668-64-7;1-(2-bromo-1-methoxy-1-prop-2-ynoxyethyl)-4-methylbenzene;DTXSID70552622;1-[2-bromo-1-methoxy-1-(2-propynyloxy)ethyl]-4-methylbenzene;1-{2-Bromo-1-methoxy-1-[(prop-2-yn-1-yl)oxy]ethyl}-4-methylbenzene

Chemical Property of 1-(2-Bromo-1-methoxy-1-prop-2-ynoxyethyl)-4-methylbenzene

Chemical Property:

• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 282.02554
• Heavy Atom Count: 16
• Complexity: 250

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-(2-Bromo-1-methoxy-1-prop-2-ynoxyethyl)-4-methylbenzene

There total 1 articles about 1-(2-Bromo-1-methoxy-1-prop-2-ynoxyethyl)-4-methylbenzene 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:

1-(1-methoxyvinyl)-4-methylbenzene (51440-57-4) + propargyl alcohol (107-19-7) → 1-(2-Bromo-1-methoxy-1-prop-2-ynyloxy-ethyl)-4-methyl-benzene (118668-64-7)

Guidance literature:

With N-Bromosuccinimide; In dichloromethane; at -40 ℃; for 1.5h; Yield given;

DOI:10.1016/S0040-4039(00)95629-6

Reference yield:

1-(2-Bromo-1-methoxy-1-prop-2-ynyloxy-ethyl)-4-methyl-benzene (118668-64-7) → 2-(4'-methylphenyl)-4-methylfuran (63591-08-2)

Guidance literature:

With tributyltin chloride; sodium cyanoborohydride; tert-butyl alcohol; 2,2'-azobis(isobutyronitrile); toluene-4-sulfonic acid; Yield given. Multistep reaction; 1) benzene, 80 deg C, 1.5 h, 2) benzene, r.t., 30 min;

DOI:10.1016/S0040-4039(00)95629-6

upstream raw materials:

1-(1-methoxyvinyl)-4-methylbenzene

propargyl alcohol

Downstream raw materials:

2-(4'-methylphenyl)-4-methylfuran