ChemicalBook--->CAS DataBase List--->99-64-9

99-64-9

99-64-9 Structure

99-64-9 Structure
IdentificationMore
[Name]

3-(Dimethylamino)benzoic acid
[CAS]

99-64-9
[Synonyms]

3-DIMETHYLAMINOBENZOIC ACID
M-DIMETHYLAMINOBENZOIC ACID
M-(N,N-DIMETHYLAMINO) BENZOIC ACID
3-(dimethylamino)-benzoicaci
Benzoicacid,3-(dimethylamino)-
3-Diaminomethylbenzoic acid
3-DIMETHYLAMINOBENZOIC ACID, CRYSTALLIZE D
3-DIMETHYLAMINO-BENZOESAEURE
3-(DIMETHYLAMINO)BENZOIC ACID 97%.
3-Dimethylaminobenzoic
META DIMETHYLAMINOBENZOIC ACID
M-dimetylaminobenzoic acid
3-(N,N-Dimethylamino)benzoic
[EINECS(EC#)]

202-775-2
[Molecular Formula]

C9H11NO2
[MDL Number]

MFCD00002497
[Molecular Weight]

165.19
[MOL File]

99-64-9.mol
Chemical PropertiesBack Directory
[Appearance]

Light yellow to yellow-beige crystalline powder
[Melting point ]

148-150 °C(lit.)
[Boiling point ]

293.03°C (rough estimate)
[density ]

1.1603 (rough estimate)
[refractive index ]

1.5200 (estimate)
[storage temp. ]

Store below +30°C.
[solubility ]

methanol: 50mg/mL, clear to very slightly hazy, yellow to brown
[form ]

Crystalline Powder
[pka]

3.36±0.10(Predicted)
[color ]

Light yellow to yellow-beige
[Water Solubility ]

Soluble in methanol (50 mg/ml). Insoluble in water.
[Detection Methods]

HPLC,NMR,T
[BRN ]

2208586
[InChI]

InChI=1S/C9H11NO2/c1-10(2)8-5-3-4-7(6-8)9(11)12/h3-6H,1-2H3,(H,11,12)
[InChIKey]

NEGFNJRAUMCZMY-UHFFFAOYSA-N
[SMILES]

C(O)(=O)C1=CC=CC(N(C)C)=C1
[CAS DataBase Reference]

99-64-9(CAS DataBase Reference)
[EPA Substance Registry System]

99-64-9(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319
[Precautionary statements ]

P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
[Hazard Codes ]

Xi
[Risk Statements ]

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 .
[WGK Germany ]

3
[TSCA ]

Yes
[HS Code ]

29224995
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Dimethyl sulfate-->3-Nitrobenzoic acid-->Formaldehyde-->Palladium-->Hydrogen-->Activated carbon-->Water-->Tetrahydrofuran-->Methanol
[Preparation Products]

3-DIMETHYLAMINOBENZOYL CHLORIDE HYDROCHLORIDE-->3-DIMETHYLAMINOBENZYL ALCOHOL-->3-(DiMethylaMino)benzaMide
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

3-(Dimethylamino)benzoic acid(99-64-9).msds
Hazard InformationBack Directory
[Chemical Properties]

Light yellow to yellow-beige crystalline powder
[Uses]

3-(Dimethylamino)benzoic acid has been used to analyse glucose content from the extraction of starch and soluble sugars.
[Uses]

3-Dimethylaminobenzoic acid is used as a benzoic acid derivative.
[Biochem/physiol Actions]

3-dimethylaminobenzoic?acid?(DMAB)?can be used to quantity the activity of peroxidase and manganese peroxidase.
[Synthesis]

Formaldehyde

50-00-0

3-Nitrobenzoic acid

121-92-6

3-(Dimethylamino)benzoic acid

99-64-9

In a 250 mL three-neck flask, 95 mL of methanol and 3 mL of tetrahydrofuran were added, followed by 16.7 g of m-nitrobenzoic acid and 0.2 g of 5% palladium carbon catalyst. A constant pressure dropping funnel was installed and 15.2 mL of 37% formaldehyde aqueous solution was added to it. The air in the reaction system was replaced with hydrogen via an air pump. The reaction system was warmed up to 64 °C and the reaction was stirred at this temperature until hydrogen uptake stopped. Subsequently, the hydrogenation reaction was continued by slowly adding the formaldehyde solution through a dropping funnel until the hydrogen uptake stopped again. After stopping stirring, the reaction mixture was filtered to recover the catalyst. The filtrate was concentrated to precipitate the product m-dimethylaminobenzoic acid. The precipitate was collected by filtration, washed with a small amount of water and dried at 100 °C to give 15.3 g of m-dimethylaminobenzoic acid in 93% yield. The recovered catalyst was washed with reaction solvent and could be reused in subsequent reactions.

[References]

[1] Patent: CN107056633, 2017, A. Location in patent: Paragraph 0013; 0014; 0015; 0016
[2] Journal of the Chemical Society, 1950, p. 1342,1345
Spectrum DetailBack Directory
[Spectrum Detail]

3-(Dimethylamino)benzoic acid(99-64-9)MS
3-(Dimethylamino)benzoic acid(99-64-9)1HNMR
3-(Dimethylamino)benzoic acid(99-64-9)IR1
3-(Dimethylamino)benzoic acid(99-64-9)IR2
3-(Dimethylamino)benzoic acid(99-64-9)IR3
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

3-Dimethylaminobenzoic acid, 99%(99-64-9)
[Alfa Aesar]

3-Dimethylaminobenzoic acid, 98%(99-64-9)
[Sigma Aldrich]

99-64-9(sigmaaldrich)
[TCI AMERICA]

3-Dimethylaminobenzoic Acid,>98.0%(GC)(T)(99-64-9)
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