N,N-Dimethylbenzamide

Base Information

• Chemical Name: N,N-Dimethylbenzamide
• CAS No.: 611-74-5
• Molecular Formula: C9H11NO
• Molecular Weight: 149.192
• Hs Code.: 29242990
• European Community (EC) Number: 210-279-2
• NSC Number: 10996
• UNII: MX2VX9MH4T
• DSSTox Substance ID: DTXSID4060602
• Nikkaji Number: J47.670F
• Wikidata: Q7827782
• ChEMBL ID: CHEMBL453210
• Mol file: 611-74-5.mol

Synonyms:N,N-dimethylbenzamide

Chemical Property of N,N-Dimethylbenzamide

Chemical Property:

• Appearance/Colour: white to off-white crystals.
• Vapor Pressure: 0.0157mmHg at 25°C
• Melting Point: 41-45 °C
• Refractive Index: 1.529
• Boiling Point: 256.1 °C at 760 mmHg
• PKA: -1.14±0.70(Predicted)
• Flash Point: 111.9 °C
• PSA: 20.31000
• Density: 1.03 g/cm³
• LogP: 1.38840
• Storage Temp.: 2-8°C(protect from light)
• Water Solubility.: Soluble in water.
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 149.084063974
• Heavy Atom Count: 11
• Complexity: 137

Purity/Quality:

99% ^*data from raw suppliers

N,N-Dimethylbenzamide >99.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,Xn
• Hazard Codes: Xn,Xi
• Statements: 22-36/37/38
• Safety Statements: 26-36-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Nitrogen Compounds -> Other Aromatics (Nitrogen)
• Canonical SMILES: CN(C)C(=O)C1=CC=CC=C1
• Uses: Reagent for deoxygenation of secondary alcohols.

Technology Process of N,N-Dimethylbenzamide

There total 278 articles about N,N-Dimethylbenzamide 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%

N,N-dimethyl-formamide (68-12-2,33513-42-7) + benzoic acid (65-85-0,8013-63-6) → N,N-dimethylbenzamide (611-74-5)

Guidance literature:

With tert.-butylhydroperoxide; copper(II) oxide; In water; at 80 ℃; for 20h; Catalytic behavior;

DOI:10.1021/acs.inorgchem.7b01576

Reference yield: 99.0%

N,N-dimethylthiobenzamide (15482-60-7) → N,N-dimethylbenzamide (611-74-5)

Guidance literature:

With 6H⁽¹⁺⁾*Mo₉O₄₀PV₃^(6-); oxygen; In acetonitrile; at 90 ℃; for 2h; under 760.051 Torr; Inert atmosphere; Glovebox;

DOI:10.1039/c5nj03579a

Reference yield: 98.0%

dimethyl amine (124-40-3) + benzoic acid (65-85-0,8013-63-6) → N,N-dimethylbenzamide (611-74-5)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; (bis-(2-methoxyethyl)amino)sulfur trufluoride; In dichloromethane; at 0 ℃; for 0.5h;

DOI:10.1016/j.tetlet.2005.10.068

upstream raw materials:

2-nitropropane

N,N,N',N'-tetramethyl-C-phenylmethanediamine

methyl N-methylbenzimidate

N,N'-dimethylbenzylamine

Downstream raw materials:

phenyl(pyridin-2-yl)methanone

3-benzoylindole

9-benzoyl-9H-carbazole

phenyl thiobenzoate

Refernces

β' Metalation of α,β-Unsaturated Tertiary Amides

10.1021/jo00347a060

The research focuses on the novel p' metalations of α,β-unsaturated tertiary amides and their subsequent reactions with various electrophiles, which is a new approach to p' substitution of α,β-unsaturated carboxylic acid derivatives. The purpose of this study was to explore the potential of diisopropyl tertiary amides to undergo p' metalation at low temperatures, leading to stable lithio-α,β-unsaturated amides that can react with a variety of electrophiles, including cases where five-membered rings are formed. The conclusions drawn from the research indicate that this method is effective for achieving substitution at the p' position and has significant synthetic potential, as demonstrated by the successful preparation of the p'-lithiomethacrylate synthon and the control of syntheses with α,β-unsaturated carboxylic acid derivatives. The chemicals used in the process include sec-butyllithium, N,N-diisopropyl-1-cyclohexenecarboxamide, and a range of electrophiles such as deuterium oxide, alkyl halides, ketones, and N,N-dimethylbenzamide, among others.

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