2,2-Dichlorobutanal

Base Information

• Chemical Name: 2,2-Dichlorobutanal
• CAS No.: 23454-01-5
• Molecular Formula: C4H6Cl2O
• Molecular Weight: 140.997
• DSSTox Substance ID: DTXSID90460775
• Nikkaji Number: J1.052.799F
• Wikidata: Q82284924
• Mol file: 23454-01-5.mol

Synonyms:2,2-dichlorobutanal;23454-01-5;Dichlorbutyraldehyd;2,2-dichlorobutyraldehyde;SCHEMBL1164248;DTXSID90460775;XAAIVSKISGLEHB-UHFFFAOYSA-N

Chemical Property of 2,2-Dichlorobutanal

Chemical Property:

• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 139.9795702
• Heavy Atom Count: 7
• Complexity: 70.1

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C=O)(Cl)Cl

Technology Process of 2,2-Dichlorobutanal

There total 6 articles about 2,2-Dichlorobutanal 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: 45.0%

N-butylidenebutylamine (130716-87-9) → 2-Chlorobutanal (28832-55-5) + 2,2-dichlorobutanal (23454-01-5) + N-butyl-butyramide (10264-16-1) + butyraldehyde (123-72-8) + N-butylamine (109-73-9,85404-21-3) + butyric acid (107-92-6)

Guidance literature:

With sodium persulfate; copper dichloride; In water; at 70 ℃; for 7.5h; Product distribution;

DOI:10.1007/BF00948513

Reference yield: 24.0%

N-(2,2-dichloro-1-butylidene)allylamine + potassium (E)-trifluoro(styryl)borate (201852-49-5) → N-(4,4-dichloro-1-phenylhex-1-en-3-yl)allylamine + 2,2-dichlorobutanal (23454-01-5)

Guidance literature:

N-(2,2-dichloro-1-butylidene)allylamine; potassium (E)-trifluoro(styryl)borate; With 1,1,1,3',3',3'-hexafluoro-propanol; boron trifluoride diethyl etherate; In dichloromethane; for 18h; Heating;

With sodium hydroxide; In dichloromethane; Further stages.;

DOI:10.1016/j.tet.2007.06.003

Reference yield: 9.0%

N-(2,2-dichloro-1-butylidene)ethylamine + potassium (E)-trifluoro(styryl)borate (201852-49-5) → N-(4,4-dichloro-1-phenylhex-1-en-3-yl)ethylamine + 2,2-dichlorobutanal (23454-01-5)

Guidance literature:

N-(2,2-dichloro-1-butylidene)ethylamine; potassium (E)-trifluoro(styryl)borate; With 1,1,1,3',3',3'-hexafluoro-propanol; boron trifluoride diethyl etherate; In dichloromethane; for 18h; Heating;

With sodium hydroxide; In dichloromethane; Further stages.;

DOI:10.1016/j.tet.2007.06.003

upstream raw materials:

2-Pentyne

N-butylidenebutylamine

dibutylamine

potassium (E)-trifluoro(styryl)borate

Downstream raw materials:

2,2-dichlorobutanoic acid

2-benzyloxymethyl-4-ethyl-1H-imidazole

2-[2-(benzyloxy)ethyl]-4-ethyl-1H-imidazole

4-bromo-N-(2,2-dichloro-1-hydroxybutyl)benzamide