ChemicalBook--->CAS DataBase List--->611-74-5

611-74-5

611-74-5 Structure

611-74-5 Structure
IdentificationMore
[Name]

N,N-Dimethylbenzamide
[CAS]

611-74-5
[Synonyms]

LABOTEST-BB LT00793055
N,N-DIMETHYLBENZAMIDE
Dimethylbenzamide
Dimethylbenzmide
n,n-dimethyl-benzamid
N,N-Dimethylbenzamide98%
Benzamide, N,N-dimethyl-(6CI,8CI,9CI)
[EINECS(EC#)]

210-279-2
[Molecular Formula]

C9H11NO
[MDL Number]

MFCD00008320
[Molecular Weight]

149.19
[MOL File]

611-74-5.mol
Chemical PropertiesBack Directory
[Appearance]

white to slightly yellow cryst. low melting solid
[Melting point ]

43-45 °C (lit.)
[Boiling point ]

132-133 °C/15 mmHg (lit.)
[density ]

1.0753 (rough estimate)
[refractive index ]

1.5279 (estimate)
[Fp ]

>230 °F
[storage temp. ]

Keep in dark place,Sealed in dry,2-8°C
[form ]

powder to lump to clear liquid
[pka]

-1.14±0.70(Predicted)
[color ]

White or Colorless to Light yellow
[Water Solubility ]

Soluble in water.
[BRN ]

774955
[InChI]

1S/C9H11NO/c1-10(2)9(11)8-6-4-3-5-7-8/h3-7H,1-2H3
[InChIKey]

IMNDHOCGZLYMRO-UHFFFAOYSA-N
[SMILES]

CN(C)C(=O)c1ccccc1
[CAS DataBase Reference]

611-74-5(CAS DataBase Reference)
[NIST Chemistry Reference]

Benzamide, N,N-dimethyl-(611-74-5)
[EPA Substance Registry System]

611-74-5(EPA Substance)
Questions And AnswerBack Directory
[Preparation]

Using Cu2O as a catalyst, o-phenanthroline as a ligand, and oxygen as an oxidant, phenylacetonitrile, N,N-dimethylformamide (DMF), and iodobenzene as reactants, a one-pot process can be used to simultaneously carry out amidation and cyanation reactions to generate the target products N,N-dimethylbenzamide and benzonitrile, with yields of 85% and 75%, respectively.
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P264-P270-P301+P312-P302+P352-P305+P351+P338
[Hazard Codes ]

Xn,Xi
[Risk Statements ]

R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S37/39:Wear suitable gloves and eye/face protection .
[WGK Germany ]

3
[RTECS ]

CV4500000
[TSCA ]

Yes
[REACH Registrations]

Active
[HS Code ]

29242990
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Raw materials And Preparation ProductsBack Directory
[Raw materials]

N,N-Dimethylformamide-->Benzoyl chloride-->N,N-Dimethylbenzenecarbothioamide-->Benzenecarboximidic acid, N-methyl- (9CI)-->2'-Phenoxyacetophenone-->Benzaldehyde-->Dimethylamine-->Phenol-->Benzoic acid
[Preparation Products]

(DHQ)2PYR-->Hydroquinine (anthraquinone-1 4-diyl)-->(DHQD)2PYR-->N,N-diMethyl-2-oxo-2-phenylacetaMide-->2-Phenyl-2-pentanol-->Guaiacol
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

N,N-Dimethylbenzamide(611-74-5).msds
Hazard InformationBack Directory
[Chemical Properties]

white to slightly yellow cryst. low melting solid
[Uses]

Reagent for deoxygenation of secondary alcohols.
[Synthesis Reference(s)]

The Journal of Organic Chemistry, 36, p. 2721, 1971 DOI: 10.1021/jo00817a036
Journal of the American Chemical Society, 77, p. 1114, 1955 DOI: 10.1021/ja01610a010
Synthetic Communications, 12, p. 989, 1982 DOI: 10.1080/00397918208061938
[General Description]

N,N-Dimethylbenzamide is a hydrotropic agent and its ability to solubilize drugs with low aqueous solubility has been investigated. It reacts with PhLnI complexes (Ln-Eu, Sm, Yb) to yield benzophenone in good yields. Deuterium exchange labelling experimets on N,N-dimethylbenzamide using [IrH2(Me2CO)2(PPh3)2]BF4 as catalyst and deuterium gas as the source of isotope has been conducted.
Spectrum DetailBack Directory
[Spectrum Detail]

N,N-Dimethylbenzamide(611-74-5)MS
N,N-Dimethylbenzamide(611-74-5)1HNMR
N,N-Dimethylbenzamide(611-74-5)13CNMR
N,N-Dimethylbenzamide(611-74-5)IR1
N,N-Dimethylbenzamide(611-74-5)IR2
N,N-Dimethylbenzamide(611-74-5)IR3
N,N-Dimethylbenzamide(611-74-5)Raman
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

N,N-Dimethylbenzamide, 98+%(611-74-5)
[Sigma Aldrich]

611-74-5(sigmaaldrich)
[TCI AMERICA]

N,N-Dimethylbenzamide,>99.0%(GC)(611-74-5)
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