2,2,2-trichloro-N-(hydroxymethyl)acetamide

Base Information

• Chemical Name: 2,2,2-trichloro-N-(hydroxymethyl)acetamide
• CAS No.: 34891-76-4
• Molecular Formula: C3H4 Cl3 N O2
• Molecular Weight: 192.429
• Hs Code.: 2924199090
• DSSTox Substance ID: DTXSID90452554
• Wikidata: Q82273260
• Mol file: 34891-76-4.mol

Synonyms:2,2,2-trichloro-N-(hydroxymethyl)acetamide;34891-76-4;Acetamide,2,2,2-trichloro-N-(hydroxymethyl)-;Acetamide, 2,2,2-trichloro-N-(hydroxymethyl)-;SCHEMBL4948924;DTXSID90452554;N-hydroxymethyltrich-loroacetamide;VDGDOWDNOPBCRE-UHFFFAOYSA-N;N-(hydroxymethyl)trichloroacetamide;AKOS006273810;AB92620;N-HYDROXYMETHYLTRICHLOROACETAMIDE

Chemical Property of 2,2,2-trichloro-N-(hydroxymethyl)acetamide

Chemical Property:

• PSA: 52.82000
• LogP: 1.26290
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 190.930761
• Heavy Atom Count: 9
• Complexity: 110

Purity/Quality:

95% ^*data from raw suppliers

N-HYDROXYMETHYLTRICHLOROACETAMIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2,2,2-trichloro-N-(hydroxymethyl)acetamide

There total 4 articles about 2,2,2-trichloro-N-(hydroxymethyl)acetamide 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: 84.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + trichloroacetamide (594-65-0) → 2,2,2-trichloro-N-(hydroxymethyl)acetamide (34891-76-4)

Guidance literature:

With sodium carbonate;

DOI:10.1021/jm00014a017

Reference yield: 80.0%

dimethyl sulfoxide (67-68-5,8070-53-9) + trichloroacetonitrile (545-06-2) → 2,2,2-trichloro-N-(hydroxymethyl)acetamide (34891-76-4)

Guidance literature:

With sulfuric acid; at 50 ℃; for 8h;

Reference yield: 53.0%

dimethyl sulfoxide (67-68-5,8070-53-9) + trichloroacetonitrile (545-06-2) → trichloroacetamide (594-65-0) + 2,2,2-trichloro-N-(hydroxymethyl)acetamide (34891-76-4)

Guidance literature:

With sulfuric acid; sulfur trioxide; at 25 ℃; for 144h; Product distribution; other amounts of reactants;

upstream raw materials:

formaldehyd

trichloroacetamide

dimethyl sulfoxide

trichloroacetonitrile

Downstream raw materials:

(S)-2-Amino-3-{4-[(2,2,2-trichloro-acetylamino)-methyl]-phenyl}-propionic acid

N-{[Bis-(2-chloro-ethyl)-amino]-methyl}-2,2,2-trichloro-acetamide