N-(butylcarbamoyl)-2-chloroacetamide

Base Information

• Chemical Name: N-(butylcarbamoyl)-2-chloroacetamide
• CAS No.: 25679-91-8
• Molecular Formula: C₇H₁₃ClN₂O₂
• Molecular Weight: 192.645
• Hs Code.: 2924210090
• NSC Number: 141311
• DSSTox Substance ID: DTXSID50301130
• Wikidata: Q82044732
• Mol file: 25679-91-8.mol

Synonyms:25679-91-8;n-[(butylamino)carbonyl]-2-chloroacetamide;N-(butylcarbamoyl)-2-chloroacetamide;1-butyl-3-(2-chloroacetyl)urea;NSC141311;DTXSID50301130;AKOS009029186;NSC-141311;UPCMLD0ENAT5427355:001;NCGC00329342-01;EN300-14550;AB01322896-02;Z104341516

Chemical Property of N-(butylcarbamoyl)-2-chloroacetamide

Chemical Property:

• PSA: 58.20000
• Density: 1.151g/cm³
• LogP: 1.63290
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 192.0665554
• Heavy Atom Count: 12
• Complexity: 162

Purity/Quality:

99% ^*data from raw suppliers

N-[(BUTYLAMINO)CARBONYL]-2-CHLOROACETAMIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCNC(=O)NC(=O)CCl

Technology Process of N-(butylcarbamoyl)-2-chloroacetamide

There total 1 articles about N-(butylcarbamoyl)-2-chloroacetamide 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: 6.5%

dichloroacetamide (683-72-7) + n-butyl isocyanide (111-36-4) → 1-Butyl-3-(2-chloro-acetyl)-urea (25679-91-8)

Guidance literature:

In 1,4-dioxane; for 2h; Heating;

DOI:10.1002/ardp.19863190908

Reference yield:

1-Butyl-3-(2-chloro-acetyl)-urea (25679-91-8) + sodium 4-methylbenzenesulfinate (824-79-3) → 1-Butyl-3-p-toluolsulfonylacetyl-harnstoff (92375-21-8)

Guidance literature:

In ethanol;

DOI:10.1111/j.2042-7158.1962.tb11132.x

Reference yield:

1-Butyl-3-(2-chloro-acetyl)-urea (25679-91-8) + benzylamine (100-46-9) → Benzylammonium-(N-chlor-acetyl-N'-n-butyl)-ureat

Guidance literature:

In 1,4-dioxane; for 2.5h; Product distribution; Heating;

DOI:10.1002/ardp.19863190908

upstream raw materials:

dichloroacetamide

n-butyl isocyanide

Downstream raw materials:

1-Butyl-3-p-toluolsulfonylacetyl-harnstoff

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