2-Chloro-N,N-diethylbenzamide

Base Information

• Chemical Name: 2-Chloro-N,N-diethylbenzamide
• CAS No.: 10345-79-6
• Molecular Formula: C11H14 Cl N O
• Molecular Weight: 211.691
• Hs Code.: 2924299090
• European Community (EC) Number: 233-754-6
• NSC Number: 404296
• UNII: 5T63XHT64O
• DSSTox Substance ID: DTXSID40145863
• Nikkaji Number: J10.462K
• Wikidata: Q27262835
• Mol file: 10345-79-6.mol

Synonyms:2-Chloro-N,N-diethylbenzamide;10345-79-6;Benzamide, 2-chloro-N,N-diethyl-;UNII-5T63XHT64O;5T63XHT64O;EINECS 233-754-6;NSC-404296;AI3-14147;N,N-Diethyl-2-Chlorobenzamide;NSC404296;o-chloro-N,N-diethylbenzamide;SCHEMBL143826;DTXSID40145863;Benzamide, o-chloro-N,N-diethyl-;MFCD00018262;N,N-DIETHYL-O-CHLOROBENZAMIDE;STL257165;AKOS002983490;NSC 404296;SB77220;BS-25226;Q27262835

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

Chemical Property:

• Vapor Pressure: 0.00016mmHg at 25°C
• Boiling Point: 331°Cat760mmHg
• Flash Point: 154°C
• PSA: 20.31000
• Density: 1.115g/cm³
• LogP: 2.82200
• Storage Temp.: Room temperature.
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 211.0763918
• Heavy Atom Count: 14
• Complexity: 192

Purity/Quality:

98%,99%, ^*data from raw suppliers

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CC)C(=O)C1=CC=CC=C1Cl

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

There total 11 articles about 2-Chloro-N,N-diethylbenzamide 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: 98.0%

2-chlorobenzotrichloride (2136-89-2) + triethylamine (121-44-8) → N,N-Diethyl-2-chlorobenzamide (10345-79-6)

Guidance literature:

With B₁₂ complex immobilized on rhodium(III) modified anatase TiO₂; air; In acetonitrile; at 20 ℃; for 3h; Irradiation;

DOI:10.1016/j.jorganchem.2019.121058

Reference yield: 86.4%

o-chlorobenzoyl chloride (609-65-4) + diethylamine (109-89-7) → N,N-Diethyl-2-chlorobenzamide (10345-79-6)

Guidance literature:

In benzene; for 1h;

Reference yield: 65.0%

N,N-diethyl-2-(trimethylsilyl)benzamide (62924-92-9) → N,N-Diethyl-2-chlorobenzamide (10345-79-6)

Guidance literature:

With N-chloro-succinimide; silica gel; In acetonitrile; at 150 ℃; for 0.166667h; microwave irradiation;

DOI:10.1021/ol0506563

upstream raw materials:

o-chlorobenzoyl chloride

diethylamine

N,N-diethyl-4-methylbenzenesulfonamide

ortho-chlorobenzoic acid

Downstream raw materials:

N,N-diethyl-o-chlorothiobenzamide

N,N-diethylbenzamide

Refernces

• 1、 Shichijo, Keita,Fujitsuka, Mamoru,Hisaeda, Yoshio,Shimakoshi, Hisashi. "Visible light-driven photocatalytic duet reaction catalyzed by the B12-rhodium-titanium oxide hybrid catalyst". supporting information. . Retrieved 2019/12/24.
• 2、 Tian, Hui,Shimakoshi, Hisashi,Ono, Toshikazu,Hisaeda, Yoshio. "Visible Light-Driven, One-pot Amide Synthesis Catalyzed by the B12 Model Complex under Aerobic Conditions". . p. 237 - 240. Retrieved 2018/12/13.