2-chloro-N-cyclopentylacetamide

Base Information

• Chemical Name: 2-chloro-N-cyclopentylacetamide
• CAS No.: 125674-23-9
• Molecular Formula: C7H12ClNO
• Molecular Weight: 161.631
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID30363998
• Wikidata: Q82147769
• ChEMBL ID: CHEMBL3334597
• Mol file: 125674-23-9.mol

Synonyms:2-chloro-N-cyclopentylacetamide;125674-23-9;2-Chloro-N-cyclopentyl-acetamide;SCHEMBL3453982;CHEMBL3334597;DTXSID30363998;CS-B1572;MFCD00297016;STK400759;AKOS000100110;AM803122;BS-10265;BB 0217225;FT-0708196;EN300-01663;2-chloro-N-cyclopentylacetamide(SALTDATA: FREE);Z56896272

Chemical Property of 2-chloro-N-cyclopentylacetamide

Chemical Property:

• Boiling Point: 312.5±21.0 °C(Predicted)
• PKA: 13.97±0.20(Predicted)
• PSA: 29.10000
• Density: 1.13±0.1 g/cm3(Predicted)
• LogP: 1.67490
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 161.0607417
• Heavy Atom Count: 10
• Complexity: 121

Purity/Quality:

98%min ^*data from raw suppliers

2-Chloro-N-cyclopentylacetamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(C1)NC(=O)CCl

Technology Process of 2-chloro-N-cyclopentylacetamide

There total 3 articles about 2-chloro-N-cyclopentylacetamide 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: 95.0%

chloroacetyl chloride (79-04-9) + Cyclopentamine (1003-03-8) → (N-cyclopentyl)-2-chloroacetamide (125674-23-9)

Guidance literature:

With potassium carbonate; In acetone; Reflux;

DOI:10.3390/molecules26113254

Reference yield: 71.0%

Cyclopentanol (96-41-3) + chloroacetonitrile (107-14-2) → (N-cyclopentyl)-2-chloroacetamide (125674-23-9)

Guidance literature:

With indium(III) triflate; In sulfur dioxide; at -50 - 100 ℃; for 24h; Inert atmosphere; Autoclave; liquid SO₂;

DOI:10.1002/ejoc.201600013

Reference yield:

→ (N-cyclopentyl)-2-chloroacetamide (125674-23-9)

Guidance literature:

upstream raw materials:

chloroacetyl chloride

Cyclopentamine

Cyclopentanol

chloroacetonitrile

Downstream raw materials:

C₁₄H₁₆N₂OS₂

N-cyclopentyl-2-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy)acetamide

Refernces

• 1、 Allarà, Marco,Bartolini, Manuela,Belluti, Federica,Bisi, Alessandra,Gobbi, Silvia,Kostrzewa, Magdalena,Ligresti, Alessia,Montanari, Serena,Naldi, Marina,Rampa, Angela,Rivara, Silvia,Scalvini, Laura. "New Coumarin derivatives as cholinergic and cannabinoid system modulators". . . Retrieved 2021/06/11.
• 2、 Liu, Kevin G.,Kim, Ji-In,Olszewski, Kellen,Barsotti, Anthony M.,Morris, Koi,Lamarque, Christophe,Yu, Xuemei,Gaffney, Jack,Feng, Xiao-Jiang,Patel, Jeegar P.,Poyurovsky, Masha V.. "Discovery and Optimization of Glucose Uptake Inhibitors". supporting information. p. 5201 - 5211. Retrieved 2020/07/10.