1-Chloro-4-methoxybutan-2-one

Base Information

• Chemical Name: 1-Chloro-4-methoxybutan-2-one
• CAS No.: 87308-03-0
• Molecular Formula: C₅H₉ClO₂
• Molecular Weight: 136.578
• European Community (EC) Number: 816-548-6
• Mol file: 87308-03-0.mol

Synonyms:1-chloro-4-methoxybutan-2-one;87308-03-0;SCHEMBL338767;AKOS006383722;CS-0231558;EN300-108840;F8889-0261

Chemical Property of 1-Chloro-4-methoxybutan-2-one

Chemical Property:

• XLogP3: 0.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 136.0291072
• Heavy Atom Count: 8
• Complexity: 72.8

Purity/Quality:

99% ^*data from raw suppliers

1-Chloro-4-methoxybutan-2-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COCCC(=O)CCl

Technology Process of 1-Chloro-4-methoxybutan-2-one

There total 1 articles about 1-Chloro-4-methoxybutan-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: 78.0%

Okahara's reagent (105104-40-3) → 1-chloro-4-methoxy-butan-2-one (87308-03-0)

Guidance literature:

With aluminium trichloride; In dichloromethane; at 0 ℃; for 2h; Mechanism; Product distribution; other substituted vinyl alkoxymethyl ethers; var. reaction temp. and time;

DOI:10.1021/jo00247a015

Reference yield: 93.0%

1-chloro-4-methoxy-butan-2-one (87308-03-0) + ethyl 3-(3,4-difluorophenyl)-3-oxopropanoate (252955-07-0) → C16H18F2O5

Guidance literature:

ethyl 3-(3,4-difluorophenyl)-3-oxopropanoate; With sodium hydride; In tetrahydrofuran; at 1 - 20 ℃; for 0.5h;

1-chloro-4-methoxy-butan-2-one; With sodium iodide; In tetrahydrofuran; at 1 - 20 ℃; for 2.5h;

Reference yield:

[2-amino-5-(2,4-dichloro-phenyl)-pyridin-4-ylmethyl]-carbamic acid tert-butyl ester (952206-34-7) + 1-chloro-4-methoxy-butan-2-one (87308-03-0) → C2HF3O2*C22H25Cl2N3O3

Guidance literature:

With sodium hydrogencarbonate; In ethanol; at 75 ℃; for 14h;

upstream raw materials:

Okahara's reagent