2-Chloro-N,N-diethylacetamide

Base Information

• Chemical Name: 2-Chloro-N,N-diethylacetamide
• CAS No.: 2315-36-8
• Molecular Formula: C6H12ClNO
• Molecular Weight: 149.62
• Hs Code.: 29241900
• European Community (EC) Number: 219-019-2
• NSC Number: 1726
• UNII: 2TK444LD3S
• DSSTox Substance ID: DTXSID7062326
• Nikkaji Number: J7.396B
• Wikidata: Q72469220
• Mol file: 2315-36-8.mol

Synonyms:N,N-diethyl-2-chloroacetamide;N,N-diethyl-alpha-chloroacetamide

Chemical Property of 2-Chloro-N,N-diethylacetamide

Chemical Property:

• Appearance/Colour: clear brown liquid
• Vapor Pressure: 0.0465mmHg at 25°C
• Melting Point: 58 °C
• Refractive Index: 1.469-1.471
• Boiling Point: 236.8 °C at 760 mmHg
• PKA: -0.95±0.70(Predicted)
• Flash Point: 77 °C
• PSA: 20.31000
• Density: 1.043 g/cm³
• LogP: 1.09360
• Storage Temp.: Store below +30°C.
• Solubility.: 85.5g/l
• Water Solubility.: soluble
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 149.0607417
• Heavy Atom Count: 9
• Complexity: 91.1

Purity/Quality:

99% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s): T+, Xn
• Hazard Codes: T+,Xn,Xi,F
• Statements: 36/37/38-26-21/22-20/21/22-38-11
• Safety Statements: 45-38-36/37/39-28A-26-28-36-16

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CC)C(=O)CCl
• Uses: 2-Chloro-N,N-diethylacetamide has been used in:preparation of calixarene amidessynthesis of 5-bromo-25,26,27,28-tetrakis[(N,N-diethylaminocarbonyl)-methoxy]calix[4]arenesynthesis of amide calix[4]pyrrole macrocycles with super-extended cavitiesmicrowave-assisted organic synthesis of 3-cyano-N,N-diethyl-4-(4-methoxyphenoyl)-4-oxobutanamide

Technology Process of 2-Chloro-N,N-diethylacetamide

There total 10 articles about 2-Chloro-N,N-diethylacetamide 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%

diethylamine (109-89-7) + chloroacetyl chloride (79-04-9) → 2-Chloro-N,N-diethylacetamide (2315-36-8)

Guidance literature:

In dichloromethane; water; at 5 ℃; Temperature; Solvent;

Reference yield: 70.0%

→ 2-Chloro-N,N-diethylacetamide (2315-36-8)

Guidance literature:

With sodium hydrogencarbonate; In dichloromethane; at 20 ℃; for 0.166667h;

In dichloromethane; for 2h; Cooling with ice;

Reference yield:

diethylamine (109-89-7) + chloroacetyl chloride (79-04-9) → chloroamide + 2-Chloro-N,N-diethylacetamide (2315-36-8)

Guidance literature:

With N-ethyl-N,N-diisopropylamine;

upstream raw materials:

dichlorodiacetamide

diethylamine

chloroacetyl chloride

N,N-diethyl-1,2,2-trichlorovinylamine

Downstream raw materials:

1-diethylcarbamoylmethyl-1-(4-nitro-benzyl)-pyrrolidinium; bromide

3-chloroacetylindole

N-(1-methyl-4-phenyl-[4]piperidylmethyl)-glycine-diethylamide

α-N,N-Dimethylamino-N',N'-diaethylacetamid

Refernces

• 1、 Keawwangchai, Somchai,Morakot, Nongnit,Keawwangchai, Tasawan. "Novel selective and sensitive optical chemosensor based on phenylfluorone derivative for detection of Ge(IV) ion in aqueous solution". . p. 290 - 300. Retrieved 2018.
• 2、 -. "Preparation method of N,N-diethyl chloroacetamide". Paragraph 0052; 0055-0065. . Retrieved 2021/03/13.
• 3、 Wang, Yangyang,Wu, Gaorong,Xu, Xiaobo,Pang, Binghan,Liao, Shaowen,Ji, Yafei. "Palladium-Catalyzed β-C(sp3)-H Arylation of Aliphatic Ketones Enabled by a Transient Directing Group". . p. 7296 - 7303. Retrieved 2021/05/29.