Benzene, 1-methoxy-4-(1,2-propadienyl)-

Base Information

• Chemical Name: Benzene, 1-methoxy-4-(1,2-propadienyl)-
• CAS No.: 2749-97-5
• Molecular Formula: C10H10O
• Molecular Weight: 146.189
• DSSTox Substance ID: DTXSID80443315
• Nikkaji Number: J944.854C
• Mol file: 2749-97-5.mol

Synonyms:Benzene, 1-methoxy-4-(1,2-propadienyl)-;2749-97-5;(4-methoxyphenyl)allene;1-Propadienyl-4-methoxybenzene;SCHEMBL12159961;VFWWHPHTDJPSRP-UHFFFAOYSA-;DTXSID80443315;InChI=1/C10H10O/c1-3-4-9-5-7-10(11-2)8-6-9/h4-8H,1H2,2H3

Chemical Property of Benzene, 1-methoxy-4-(1,2-propadienyl)-

Chemical Property:

• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 146.073164938
• Heavy Atom Count: 11
• Complexity: 148

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C=C=C

Technology Process of Benzene, 1-methoxy-4-(1,2-propadienyl)-

There total 34 articles about Benzene, 1-methoxy-4-(1,2-propadienyl)- 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%

1,1-dibromo-2-(4-methoxyphenyl)cyclopropane (65038-31-5) → 4-methoxylphenylallene (2749-97-5)

Guidance literature:

With ethylmagnesium bromide; In tetrahydrofuran; diethyl ether; at 0 - 20 ℃; for 2h; Inert atmosphere;

DOI:10.1002/anie.201706798

Reference yield: 99.0%

N,N-diisopropyl-3-(4-methoxyphenyl)prop-2-yn-1-amine (709665-40-7) → 4-methoxylphenylallene (2749-97-5)

Guidance literature:

With tris(dibenzylideneacetone)dipalladium⁽⁰⁾ chloroform complex; tris(pentafluorophenyl)phosphine; In 1,4-dioxane; at 100 ℃; for 24h;

DOI:10.1021/ja039175+

Reference yield: 99.0%

N,N-dicyclohexyl-3-(4-methoxyphenyl)prop-2-ynylamine → 4-methoxylphenylallene (2749-97-5)

Guidance literature:

With 1,2-bis(di(pentafluorophenyl)phosphino)ethane; tris(dibenzylideneacetone)dipalladium⁽⁰⁾ chloroform complex; In chloroform; at 20 ℃; for 96h;

DOI:10.1016/j.tetlet.2005.09.169

upstream raw materials:

propargyl bromide

4-methoxyphenyl magnesium bromide

1-((E)-2-Benzenesulfinyl-3-bromo-propenyl)-4-methoxy-benzene

para-iodoanisole

Downstream raw materials:

3-(4-methoxyphenyl)prop-1-yne

(E)-4-methoxycinnamyl acetate