2-Chloro-N-phenethylacetamide

Base Information

• Chemical Name: 2-Chloro-N-phenethylacetamide
• CAS No.: 13156-95-1
• Molecular Formula: C10H12 Cl N O
• Molecular Weight: 197.664
• Hs Code.: 2924299090
• European Community (EC) Number: 695-978-4
• NSC Number: 8377
• DSSTox Substance ID: DTXSID10157110
• Nikkaji Number: J810.666E
• Wikidata: Q83025231
• ChEMBL ID: CHEMBL3244840
• Mol file: 13156-95-1.mol

Synonyms:2-Chloro-N-phenethylacetamide;13156-95-1;2-Chloro-N-(2-phenylethyl)acetamide;Acetamide, 2-chloro-N-phenethyl-;2-Chloro-N-phenethyl-acetamide;N-(2-PHENYLETHYL)CHLOROACETAMIDE;NSC 8377;BRN 2102348;AI3-23562;MFCD00245084;Acetamide, 2-chloro-N-(2-phenylethyl)-;NSC8377;CORIPHOSPHINEO;N-phenethyl-2-chloroacetamide;SCHEMBL696928;CHEMBL3244840;alpha-Chloro-N-phenethylacetamide;DTXSID10157110;NSC-8377;BBL009402;STK119029;AKOS000266868;LS-8611;2-Chloro-N-(2-phenylethyl)acetamide #;FT-0693629;EN300-01676;9G-934;E83850;J-509157;Z56869446;F0907-4249

Chemical Property of 2-Chloro-N-phenethylacetamide

Chemical Property:

• Vapor Pressure: 6.05E-06mmHg at 25°C
• Melting Point: 67-70 ºC
• Boiling Point: 379 ºC
• PKA: 13.94±0.46(Predicted)
• Flash Point: 183 ºC
• PSA: 29.10000
• Density: 1.145 g/cm³
• LogP: 1.97500
• Storage Temp.: 2-8°C
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 197.0607417
• Heavy Atom Count: 13
• Complexity: 155

Purity/Quality:

99% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CCNC(=O)CCl
• Uses: 2-Chloro-N-phenethylacetamide is used as a reagent in the synthesis of praziquantel by tandem amidoalkylation and N-acyliminium ion cyclization.

Technology Process of 2-Chloro-N-phenethylacetamide

There total 3 articles about 2-Chloro-N-phenethylacetamide 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: 100.0%

phenethylamine (64-04-0) + chloroacetyl chloride (79-04-9) → 2-chloro-N-phenethylacetamide (13156-95-1)

Guidance literature:

With potassium carbonate; In dichloromethane; Ambient temperature;

DOI:10.1021/jm00112a042

Reference yield: 99.0%

→ 2-chloro-N-phenethylacetamide (13156-95-1)

Guidance literature:

Reference yield: 74.0%

phenethylamine (64-04-0) + acetyl chloride (75-36-5) → 2-chloro-N-phenethylacetamide (13156-95-1)

Guidance literature:

With potassium carbonate; In dichloromethane; at 45 ℃; for 18h; Inert atmosphere;

DOI:10.1016/j.bmc.2010.05.080

upstream raw materials:

phenethylamine

chloroacetyl chloride

acetyl chloride

Downstream raw materials:

1-chloromethyl-3,4-dihydro-isoquinoline

N-phenethyl-2-(phenethylamino)acetamide

2-(diethylamino)-N-phenylethylacetamide

2-chloro-1-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethan-1-one