2-Chloro-N-(2,6-diethylphenyl)acetamide

Base Information

• Chemical Name: 2-Chloro-N-(2,6-diethylphenyl)acetamide
• CAS No.: 6967-29-9
• Molecular Formula: C12H16ClNO
• Molecular Weight: 225.718
• Hs Code.: 2924299090
• European Community (EC) Number: 621-691-0
• NSC Number: 68291
• DSSTox Substance ID: DTXSID50219963
• Nikkaji Number: J514.360H
• Wikidata: Q72518270
• Metabolomics Workbench ID: 45755
• Mol file: 6967-29-9.mol

Synonyms:2-chloro-N-(2,6-diethylphenyl)acetamide;CDEPA-2

Chemical Property of 2-Chloro-N-(2,6-diethylphenyl)acetamide

Chemical Property:

• Appearance/Colour: White crystal
• Vapor Pressure: 1.2E-05mmHg at 25°C
• Melting Point: 128-130 °C
• Refractive Index: 1.559
• Boiling Point: 369.2 °C at 760mmHg
• PKA: 12.91±0.70(Predicted)
• Flash Point: 177.1 °C
• PSA: 29.10000
• Density: 1.131g/cm³
• LogP: 3.06170
• Storage Temp.: -20°C Freezer, Under inert atmosphere
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 225.0920418
• Heavy Atom Count: 15
• Complexity: 196

Purity/Quality:

99% ^*data from raw suppliers

2-?Chloro-?(N-?2,?6-?diethylphenyl)?acetamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCC1=C(C(=CC=C1)CC)NC(=O)CCl
• Uses: 2-?Chloro-?(N-?2,?6-?diethyl phenyl)?acetamide is a reagent used in the synthesis of novel inhibitors of signal transducer and activator of the transcription (STAT3) signalling pathway which is used in the treatment of cancers.

Technology Process of 2-Chloro-N-(2,6-diethylphenyl)acetamide

There total 4 articles about 2-Chloro-N-(2,6-diethylphenyl)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: 99.1%

2,6-diethylaniline (579-66-8) + chloroacetyl chloride (79-04-9) → 2-chloro-2',6'-diethylacetanilide (6967-29-9)

Guidance literature:

In ethyl acetate; for 2h; Heating;

DOI:10.1021/tx00044a005

Reference yield: 95.0%

Chloroiodomethane (593-71-5) + 2,6-diethylphenylisocyanate (20458-99-5) → 2-chloro-2',6'-diethylacetanilide (6967-29-9)

Guidance literature:

With methyllithium lithium bromide; In diethyl ether; at -78 ℃;

DOI:10.1039/c3cc44255a

Reference yield:

Alachlor (15972-60-8,155773-66-3) → 2-chloro-2',6'-diethylacetanilide (6967-29-9)

Guidance literature:

With hydrogenchloride; In acetone; for 4h; Heating;

DOI:10.1021/es00006a018

upstream raw materials:

2,6-diethylaniline

chloroacetyl chloride

Alachlor

Chloroiodomethane

Downstream raw materials:

N-butoxymethyl-2-chloro-N-(2,6-diethylphenyl)acetamide

C₁₇H₂₇N₃O

C₂₈H₂₉N₃O₃S₂

C₁₉H₂₁N₃OS₂

Refernces

• 1、 Georgescu, Emilian,Georgescu, Florentina,Dumitrascu, Florea,Draghici, Constantin,Nicolescu, Alina,Marinescu, Daniela,Deleanu, Calin. "Microwave-assisted multicomponent synthesis of benzo[f]pyrrolo[1,2-a]quinoline derivatives". . p. 97 - 102. Retrieved 2021/02/05.
• 2、 Suresh, Narva,Suresh, Amaroju,Yerramsetty, Suresh,Bhadra, Manika Pal,Alvala, Mallika,Sekhar, Kondapalli Venkata Gowri Chandra. "Anti-proliferative activity, molecular modeling studies and interaction with calf thymus DNA of novel ciprofloxacin analogues". . . Retrieved 2018/08/24.