2-Chloro-N-methyl-N-phenylacetamide

Base Information

• Chemical Name: 2-Chloro-N-methyl-N-phenylacetamide
• CAS No.: 2620-05-5
• Molecular Formula: C9H10 Cl N O
• Molecular Weight: 183.637
• Hs Code.: 2924299090
• European Community (EC) Number: 220-053-5
• NSC Number: 8283
• UNII: F7GFJ4989U
• DSSTox Substance ID: DTXSID20180833
• Nikkaji Number: J192.122C
• Wikidata: Q83051448
• ChEMBL ID: CHEMBL2164315
• Mol file: 2620-05-5.mol

Synonyms:2-Chloro-N-methyl-N-phenylacetamide;2620-05-5;2-Chloro-N-methyl-N-phenyl-acetamide;Acetamide, 2-chloro-N-methyl-N-phenyl-;2-CHLORO-N-METHYLACETANILIDE;F7GFJ4989U;NSC-8283;MFCD00028184;2-Chloro-N-methyl-4-N-phenyl-acetamide;AI3-23548;NSC8283;N-methyl chloro acetanilide;UNII-F7GFJ4989U;N-chloroacetyl-N-methylaniline;SCHEMBL1507876;CHEMBL2164315;Chloroacetic acid N-methylanilide;N-Methyl-alpha-chloroacetoanilide;DTXSID20180833;NSC 8283;EINECS 220-053-5;STK502088;AKOS000266641;2-Chloro-N-methyl-N-phenylacetamide #;2N-505S;[Chlor-essigsaure]-[methyl-phenyl-amid];BB 0258354;CS-0033770;FT-0634402;EN300-01565;[N-Methyl-N-(phenyl)aminocarbonylmethyl]chloride;W-109810;Z56896212

Chemical Property of 2-Chloro-N-methyl-N-phenylacetamide

Chemical Property:

• Vapor Pressure: 0.0104mmHg at 25°C
• Melting Point: 74-77°C
• Boiling Point: 263.3°Cat760mmHg
• PKA: 0.36±0.50(Predicted)
• Flash Point: 113.1°C
• PSA: 20.31000
• Density: 1.204g/cm³
• LogP: 1.88820
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 183.0450916
• Heavy Atom Count: 12
• Complexity: 155

Purity/Quality:

98% ^*data from raw suppliers

2-Chloro-N-methyl-N-phenylacetamide ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CN(C1=CC=CC=C1)C(=O)CCl

Technology Process of 2-Chloro-N-methyl-N-phenylacetamide

There total 13 articles about 2-Chloro-N-methyl-N-phenylacetamide 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: 99.0%

chloroacetyl chloride (79-04-9) + N-methylaniline (100-61-8) → N-methyl-2-chloroacetanilide (2620-05-5)

Guidance literature:

With triethylamine; In dichloromethane; at 0 - 20 ℃; for 6h;

DOI:10.3390/molecules201119673

Reference yield: 92.0%

→ N-methylaniline (100-61-8) + N-methyl-2-chloroacetanilide (2620-05-5)

Guidance literature:

Reference yield: 91.0%

N-methyl-2-bromoacetanilide (29182-97-6) → N-methyl-2-chloroacetanilide (2620-05-5)

Guidance literature:

With S₄N₄*SbCl₅; In toluene; Heating;

DOI:10.1016/S0040-4039(97)00850-2

upstream raw materials:

diethyl ether

chloroacetyl chloride

N-methylaniline

N-methyl-N-(trichlorovinyl)aniline

Downstream raw materials:

thiocyanato-acetic acid-(N-methyl-anilide)

ethoxythiocarbonylmercapto-acetic acid-(N-methyl-anilide)

N-methyl-N-phenylphenoxyacetamide

α-(phenylthio)-N-methyl-N-phenylacetamide

Refernces

• 1、 Wilson, Ruth I.,Mabury, Scott A.. "Photodegradation of metolachlor: Isolation, identification, and quantification of monochloroacetic acid". . p. 944 - 950. Retrieved 2000.
• 2、 Borbas, K. Eszter,Bruce, James I.. "Synthesis of asymmetrically substituted cyclen-based ligands for the controlled sensitisation of lanthanides". . p. 2274 - 2282. Retrieved 2007.
• 3、 Bonyad, Sarvenaz Rouhi,Mirjafary, Zohreh,Saeidian, Hamid,Rouhani, Morteza. "Efficient synthesis, spectroscopic characterization and DFT based studies of novel 1-amide 4-sulfonamide-1,2,3-triazole derivatives". . p. 164 - 170. Retrieved 2019/07/18.