Benzene, 1-chloro-2-methyl-4-(2-propynyloxy)-

Base Information

• Chemical Name: Benzene, 1-chloro-2-methyl-4-(2-propynyloxy)-
• CAS No.: 33133-30-1
• Molecular Formula: C10H9ClO
• Molecular Weight: 180.634
• DSSTox Substance ID: DTXSID70470014
• Nikkaji Number: J2.245.029H
• Wikidata: Q82297971

Synonyms:33133-30-1;Benzene, 1-chloro-2-methyl-4-(2-propynyloxy)-;DTXSID70470014;AKOS008950467

Chemical Property of Benzene, 1-chloro-2-methyl-4-(2-propynyloxy)-

Chemical Property:

• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 180.0341926
• Heavy Atom Count: 12
• Complexity: 182

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Benzene, 1-chloro-2-methyl-4-(2-propynyloxy)-

There total 2 articles about Benzene, 1-chloro-2-methyl-4-(2-propynyloxy)- 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:

4-Chloro-3-methylphenol (59-50-7) + propargyl bromide (106-96-7) → 1-Chloro-2-methyl-4-prop-2-ynyloxy-benzene (33133-30-1)

Guidance literature:

With potassium carbonate; In acetone; for 5h; Reflux;

DOI:10.1016/j.bmc.2012.01.019

Reference yield:

→ 1-Chloro-2-methyl-4-prop-2-ynyloxy-benzene (33133-30-1)

Guidance literature:

4-Chlor-3-methylphenol, Propargylbromid;

Reference yield: 91.0%

1-Chloro-2-methyl-4-prop-2-ynyloxy-benzene (33133-30-1) + N-(4-azido-2-phenoxyphenyl)methanesulfonamide → N-(4-(4-((4-chloro-3-methylphenoxy)methyl)-1H-1,2,3-triazol-1-yl)-2-phenoxyphenyl)methanesulfonamide

Guidance literature:

With L-ascorbic acid sodium salt; copper(II) sulfate; at 27 ℃;

DOI:10.1039/c4ce01650e

upstream raw materials:

4-Chloro-3-methylphenol

propargyl bromide

Downstream raw materials:

5-((4-((4-chloro-3-methylphenoxy)methyl)-1H-1,2,3-triazol-1-yl)methyl)-2-methylpyrimidin-4-amine

{2-[4-(4-chloro-3-methylphenoxymethyl)-[1,2,3]triazol-1-yl]ethyl}-(7-chloroquinolin-4-yl)amine

C₂₀H₃₂ClN₃O₇P₂

C₂₁H₁₈Cl₂N₄O

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