1-Chloro-4-(prop-2-yn-1-yloxy)benzene

Base Information

• Chemical Name: 1-Chloro-4-(prop-2-yn-1-yloxy)benzene
• CAS No.: 19130-39-3
• Molecular Formula: C9H7ClO
• Molecular Weight: 166.607
• European Community (EC) Number: 851-281-9
• DSSTox Substance ID: DTXSID90472075
• Nikkaji Number: J792.417H
• Wikidata: Q82300848
• Mol file: 19130-39-3.mol

Synonyms:1-chloro-4-(prop-2-yn-1-yloxy)benzene;19130-39-3;Benzene, 1-chloro-4-(2-propynyloxy)-;1-chloro-4-prop-2-ynoxybenzene;1-Chloro-4-(2-propyn-1-yloxy)benzene;SCHEMBL2511132;DTXSID90472075;USRMDNZIKVMDKH-UHFFFAOYSA-N;1-chloro-4-prop-2-ynyloxybenzene;MFCD09836692;4-chlorophenyl prop-2-yn-1-yl ether;AKOS005068135;AB91789;1-Chloro-4-(2-propyn-1-yloxy)-benzene;AS-62772;CS-0217205;EN300-70771;W16039;Z54472184

Chemical Property of 1-Chloro-4-(prop-2-yn-1-yloxy)benzene

Chemical Property:

• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 166.0185425
• Heavy Atom Count: 11
• Complexity: 150

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C#CCOC1=CC=C(C=C1)Cl

Technology Process of 1-Chloro-4-(prop-2-yn-1-yloxy)benzene

There total 12 articles about 1-Chloro-4-(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%

1-phenoxy-2-propyne (13610-02-1) → 1-chloro-4-(prop-2-yn-1-yloxy)benzene (19130-39-3)

Guidance literature:

With tetraethylammonium trichloride; In dichloromethane;

DOI:10.1002/anie.199723421

Reference yield: 99.0%

4-chloro-phenol (106-48-9,82344-39-6) + propargyl bromide (106-96-7) → 1-chloro-4-(prop-2-yn-1-yloxy)benzene (19130-39-3)

Guidance literature:

With potassium carbonate; In acetone; toluene; for 15h; Reflux;

DOI:10.1021/jm4010434

Reference yield: 86.0%

2,3-dibromopropyl 4-chlorophenyl ether (791590-30-2) → 1-chloro-4-(prop-2-yn-1-yloxy)benzene (19130-39-3)

Guidance literature:

With tetrabutyl ammonium fluoride; In tetrahydrofuran; N,N-dimethyl-formamide; at 60 ℃; for 2h; regioselective reaction;

DOI:10.1055/s-0030-1258813

upstream raw materials:

4-p-chlorophenoxymethyl-1,2,3-selenadiazole

4-chloro-phenol

propargyl bromide

1-phenoxy-2-propyne

Downstream raw materials:

C₂₉H₂₇N₄SOCl

4-[(4-chlorophenoxy)methyl]-α-phenyl-1H-1,2,3-triazole-1-ethanol

6-(4-chlorophenoxy)-2-methylhex-4-yn-3-ol