1-Chloro-3-phenoxypropan-2-one

Base Information

• Chemical Name: 1-Chloro-3-phenoxypropan-2-one
• CAS No.: 940-47-6
• Molecular Formula: C9H9ClO2
• Molecular Weight: 184.622
• European Community (EC) Number: 967-949-9
• DSSTox Substance ID: DTXSID40469576
• Nikkaji Number: J1.591.399A
• Wikidata: Q72456496
• Mol file: 940-47-6.mol

Synonyms:1-Chloro-3-phenoxypropan-2-one;940-47-6;2-Propanone, 1-chloro-3-phenoxy-;1-chloro-3-phenoxy-propan-2-one;1-chloro-3-phenoxyacetone;1-Chloro-3-phenoxy-2-propanone;chloro-3-phenoxy-propan-2-one;SCHEMBL4125546;1-chloro-3-phenyloxy-2-propanon;DTXSID40469576;phenoxy-methyl chloromethyl ketone;SHASLAUEJHRDFZ-UHFFFAOYSA-N;AKOS017515054;DL-0705;CS-0239283;EN300-208852;Z1255416714

Chemical Property of 1-Chloro-3-phenoxypropan-2-one

Chemical Property:

• Melting Point: 33-34℃
• Boiling Point: 274℃
• Flash Point: 117℃
• PSA: 26.30000
• Density: 1.191
• LogP: 1.87330
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 184.0291072
• Heavy Atom Count: 12
• Complexity: 142

Purity/Quality:

99% ^*data from raw suppliers

1-chloro-3-phenoxypropan-2-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)OCC(=O)CCl

Technology Process of 1-Chloro-3-phenoxypropan-2-one

There total 10 articles about 1-Chloro-3-phenoxypropan-2-one 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: 97.0%

1-(dimethyl(oxo)-λ6-sulfanylidene)-3-phenoxypropan-2-one → 1-chloro-3-phenoxyacetone (940-47-6)

Guidance literature:

With hydrogenchloride; In tetrahydrofuran; 1,4-dioxane; at 20 - 70 ℃; for 2h;

DOI:10.1021/jo035733r

Reference yield: 82.0%

2,2,6,6-tetramethyl-piperidine-N-oxyl (2564-83-2) + (RS)-1-chloro-3-phenyloxy-2-propanol (4769-73-7) → 1-chloro-3-phenoxyacetone (940-47-6)

Guidance literature:

With sodium hypochlorite; sodium bromide; sodium hydrogencarbonate; sodium thiosulfate; In water; ethyl acetate;

Reference yield: 78.0%

(RS)-1-chloro-3-phenyloxy-2-propanol (4769-73-7) → 1-chloro-3-phenoxyacetone (940-47-6)

Guidance literature:

With oxalyl dichloride; dimethyl sulfoxide; In dichloromethane; at -70 ℃; for 0.25h;

DOI:10.1016/S0957-4166(00)00425-0

upstream raw materials:

(RS)-1-chloro-3-phenyloxy-2-propanol

1-Diazo-3-phenoxy-2-propanone

diazomethane

Phenoxyacetyl chloride

Downstream raw materials:

1-acetoxy-1-phenoxy-2-propanone

1-chloro-2-methyl-3-phenoxypropan-2-ol

2-Chloromethyl-1-phenoxy-butan-2-ol

1-Chloro-3-phenoxy-2-phenyl-propan-2-ol