N-(3-chloropropyl)acetamide

Base Information

• Chemical Name: N-(3-chloropropyl)acetamide
• CAS No.: 14091-77-1
• Molecular Formula: C5H10ClNO
• Molecular Weight: 135.59200
• European Community (EC) Number: 843-049-0
• DSSTox Substance ID: DTXSID00391788
• Nikkaji Number: J94.737G
• Wikidata: Q82189495
• Mol file: 14091-77-1.mol

Synonyms:N-(3-chloropropyl)acetamide;14091-77-1;Acetamide, N-(3-chloropropyl)-;N-(3-chloro-propyl)-acetamide;SCHEMBL2438971;3-methylformamido-1-chloropropane;DTXSID00391788;HDPXRRJHKUBNHX-UHFFFAOYSA-N;MFCD01195314;AKOS009290011;CS-0223153;EN300-114154

Chemical Property of N-(3-chloropropyl)acetamide

Chemical Property:

• PSA: 32.59000
• LogP: 1.59170
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 135.0450916
• Heavy Atom Count: 8
• Complexity: 74.8

Purity/Quality:

98% ^*data from raw suppliers

N-(3-Chloropropyl)acetamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NCCCCl

Technology Process of N-(3-chloropropyl)acetamide

There total 2 articles about N-(3-chloropropyl)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: 90.0%

2-methyl-(4H)-5,6-dihydro-1,3-oxazine (10431-93-3) + chloro-trimethyl-silane (75-77-4) → N-(3-chloro-propyl)-acetamide (14091-77-1)

Guidance literature:

In methanol; at 75 ℃; for 2h;

DOI:10.1246/cl.1984.1243

Reference yield:

1-chloro-3-diazo-propane (13589-36-1) + sodium acetate (127-09-3) → N-(3-chloro-propyl)-acetamide (14091-77-1)

Guidance literature:

With hydrogen; nickel; In acetic anhydride;

Reference yield:

4-[(tert-butoxycarbonyl)amino]-2-hydroxybenzoic acid (184033-42-9) + N-(3-chloro-propyl)-acetamide (14091-77-1) → 2-[3-(acetylamino)propoxy]-4-[(tertbutoxycarbonyl)amino]benzoic acid (1333127-07-3)

Guidance literature:

With potassium carbonate; at 110 ℃; for 1h;

upstream raw materials:

1-chloro-3-diazo-propane

sodium acetate

2-methyl-(4H)-5,6-dihydro-1,3-oxazine

chloro-trimethyl-silane

Downstream raw materials:

2-[3-(acetylamino)propoxy]-4-[(tertbutoxycarbonyl)amino]benzoic acid