Acetamide, 2,2-dichloro-N-octyl-

Base Information

• Chemical Name: Acetamide, 2,2-dichloro-N-octyl-
• CAS No.: 5326-91-0
• Molecular Formula: C10H19Cl2NO
• Molecular Weight: 240.17
• Hs Code.: 2924199090
• NSC Number: 4084
• DSSTox Substance ID: DTXSID70967833
• Nikkaji Number: J1.721.261C
• Wikidata: Q82950468
• Mol file: 5326-91-0.mol

Synonyms:5326-91-0;Acetamide, 2,2-dichloro-N-octyl-;Acetamide,2,2-dichloro-N-octyl-;NSC 4084;C10H19Cl2NO;N-Octyl-2,2-dichloroacetamide;DTXSID70967833;NSC4084;NSC-4084;2,2-Dichloro-N-octylethanimidic acid;AKOS003867337

Chemical Property of Acetamide, 2,2-dichloro-N-octyl-

Chemical Property:

• Boiling Point: 337.8°Cat760mmHg
• Flash Point: 158.1°C
• PSA: 29.10000
• Density: 1.078g/cm³
• LogP: 3.65770
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 8
• Exact Mass: 239.0843696
• Heavy Atom Count: 14
• Complexity: 151

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCCCCCNC(=O)C(Cl)Cl

Technology Process of Acetamide, 2,2-dichloro-N-octyl-

There total 5 articles about Acetamide, 2,2-dichloro-N-octyl- 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: 65.0%

n-Octylamine (111-86-4) + 5,5-dichloro-meldrum’s acid → 2,2-dichloro-N-octylacetoamide (5326-91-0)

Guidance literature:

In ethyl acetate; at 20 ℃; for 16h;

DOI:10.1021/acs.orglett.1c00850

Reference yield: 55.0%

2,2,2-trichloro-N-octylacetoamide (544424-90-0) → 2,2-dichloro-N-octylacetoamide (5326-91-0)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In N,N-dimethyl acetamide; at 25 ℃; for 2h; under 760.051 Torr; chemoselective reaction;

DOI:10.1002/adsc.201100778

Reference yield:

dichloroacethyl chloride (79-36-7) + n-Octylamine (111-86-4) → 2,2-dichloro-N-octylacetoamide (5326-91-0)

Guidance literature:

With 1,2-dichloro-ethane; at -20 - -10 ℃;

DOI:10.1021/ja01192a028

upstream raw materials:

dichloroacethyl chloride

n-Octylamine

octyl-carbamic acid tert-butyl ester

2,2,2-trichloro-N-octylacetoamide