2-Chloro-1-(2,3-dihydrobenzofuran-5-yl)ethanone

Base Information

• Chemical Name: 2-Chloro-1-(2,3-dihydrobenzofuran-5-yl)ethanone
• CAS No.: 64089-34-5
• Molecular Formula: C10H9 Cl O2
• Molecular Weight: 196.633
• Hs Code.: 2932990090
• DSSTox Substance ID: DTXSID30424699
• Nikkaji Number: J1.931.550I
• Wikidata: Q82237375
• Mol file: 64089-34-5.mol

Synonyms:64089-34-5;2-chloro-1-(2,3-dihydrobenzofuran-5-yl)ethanone;5-Chloroacetyl-2,3-dihydrobenzofuran;2-Chloro-1-(2,3-dihydro-benzofuran-5-yl)-ethanone;2-chloro-1-(2,3-dihydro-1-benzofuran-5-yl)ethanone;5-(Chloroacetyl)-2,3-dihydrobenzofuran;2-chloro-1-(2,3-dihydro-1-benzofuran-5-yl)ethan-1-one;SCHEMBL1182701;DTXSID30424699;HQFACNABSBZAFM-UHFFFAOYSA-N;CS-M0904;MFCD03618417;AKOS000160282;AS-35375;FT-0735304;A13934;EN300-1966660

Chemical Property of 2-Chloro-1-(2,3-dihydrobenzofuran-5-yl)ethanone

Chemical Property:

• Vapor Pressure: 3.44E-05mmHg at 25°C
• Refractive Index: 1.573
• Boiling Point: 354.1°C at 760 mmHg
• Flash Point: 161.5°C
• PSA: 26.30000
• Density: 1.289g/cm³
• LogP: 2.04300
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 196.0291072
• Heavy Atom Count: 13
• Complexity: 205

Purity/Quality:

98%min ^*data from raw suppliers

5-Chloroacetyl-2,3-dihydrobenzofuran ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COC2=C1C=C(C=C2)C(=O)CCl

Technology Process of 2-Chloro-1-(2,3-dihydrobenzofuran-5-yl)ethanone

There total 3 articles about 2-Chloro-1-(2,3-dihydrobenzofuran-5-yl)ethanone 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: 63.0%

2.3-dihydrobenzofuran (496-16-2) + chloroacetyl chloride (79-04-9) → 2-chloro-1-(2,3-dihydrobenzofuran-5-yl)ethanone (64089-34-5)

Guidance literature:

aluminum (III) chloride; In dichloromethane; at -5 - 25 ℃; for 8.16667h;

Reference yield: 8.0%

2.3-dihydrobenzofuran (496-16-2) + Chloroacetic anhydride (541-88-8) → 2-chloro-1-(2,3-dihydrobenzofuran-5-yl)ethanone (64089-34-5)

Guidance literature:

With zeolite Hβ; at 120 ℃; for 1.5h;

DOI:10.1039/b303906d

Reference yield:

1-benzofurane (271-89-6) + 2-chloropropionyl chloride (625-36-5) → 2-chloro-1-(2,3-dihydrobenzofuran-5-yl)ethanone (64089-34-5)

Guidance literature:

upstream raw materials:

2.3-dihydrobenzofuran

Chloroacetic anhydride

1-benzofurane

2-chloropropionyl chloride

Downstream raw materials:

C₄₄H₅₃FN₄O₁₀S

C₃₈H₄₀FN₃O₈S

C₃₅H₃₇FN₄O₈S

C₃₁H₃₀FNO₆S

Refernces

• 1、 -. "SUBSTITUTED AZABICYCLO HEXANE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS". Page 15. . Retrieved 2010/02/08.
• 2、 -. "PYRROLIDINE DERIVATIVES". . . Retrieved 2008/06/13.