4-Dimethylaminopyridine CAS#: 1122-58-3

4-Dimethylaminopyridine CAS#: 1122-58-3; ChemWhat Code: 8209

Identification	Physical Data	Spectra
Route of Synthesis (ROS)	Safety and Hazards	Other Data

Patent Information
Patent ID	Title	Publication Date
WO2022/6427	MANUFACTURING PROCESS FOR 3,5-DICHLOROPICOLINONITRILE FOR SYNTHESIS OF VADADUSTAT	2022
US2020/62752	NOVEL PYRIDONE CARBOXYLIC ACID DERIVATIVE OR SALT THEREOF	2020
CN111217726	Paeonol ester derivative, and preparation method and application thereof	2020

Boiling Point, °C	Pressure (Boiling Point), Torr
190	150

Description (Association (MCS))	Solvent (Association (MCS))	Temperature (Association (MCS)), °C	Partner (Association (MCS))
Stability constant of the complex with …	CCl4	24.9	4-Fluorophenol
Stability constant of the complex with …	aq. HNO3	25	AgNO3
Enthalpy of association	acetonitrile	25	iodine
NMR spectrum of the complex	CDCl3		Cu(2,4-dichloro-benzoate)2

Description (NMR Spectroscopy)	Nucleus (NMR Spectroscopy)	Solvents (NMR Spectroscopy)	Temperature (NMR Spectroscopy), °C	Frequency (NMR Spectroscopy), MHz
Spectrum	1H
Chemical shifts	1H	dimethylsulfoxide-d6
Chemical shifts	1H	dichloromethane-d2	25	300.1
Chemical shifts, Spectrum	1H	water-d2	26.84	400
Chemical shifts, Spectrum	13C	chloroform-d1		151

Description (IR Spectroscopy)	Solvent (IR Spectroscopy)	Temperature (IR Spectroscopy), °C
Bands, Spectrum	potassium bromide
ATR (attenuated total reflectance), Intensity of IR bands, Bands		25
Bands	potassium bromide
Intensity of IR bands, ATR (attenuated total reflectance), Bands, Spectrum
Intensity of IR bands, Bands, Spectrum	potassium bromide

Description (Mass Spectrometry)

high resolution mass spectrometry (HRMS), electrospray ionisation (ESI), time-of-flight mass spectra (TOFMS), spectrum

spectrum

high resolution mass spectrometry (HRMS), electrospray ionisation (ESI), spectrum

high resolution mass spectrometry (HRMS), spectrum

liquid chromatography mass spectrometry (LCMS), spectrum

CI (Chemical ionization), Spectrum

Description (UV/VIS Spectroscopy)	Solvent (UV/VIS Spectroscopy)	Absorption Maxima (UV/VIS), nm	Ext./Abs. Coefficient, l·mol^-1cm^-1
	acetonitrile	256	20310
Spectrum	aq. buffer
Spectrum	water monomer
Spectrum	N,N-dimethyl-formamide
Reflection spectrum, Spectrum
Spectrum	dichloromethane	258

Conditions	Yield
Stage #1: pyridine-4-carbonitrile With hydrogenchloride; acrylic acid at 90℃; for 1.5h; Inert atmosphere; Stage #2: dimethyl amine at 70℃; for 2.5h; Inert atmosphere; Stage #3: With sodium hydroxide at 70 – 90℃; for 3.5h; Temperature; Reagent/catalyst; Inert atmosphere;	99.4%
Stage #1: pyridine-4-carbonitrile With hydrogenchloride; acrylic acid In water at 70℃; for 4h; Inert atmosphere; Stage #2: dimethyl amine In water at 50℃; for 3h; Temperature; Inert atmosphere;	99%
Stage #1: pyridine-4-carbonitrile With hydrogenchloride; hydroquinone; acrylic acid In water at 90℃; for 6h; Stage #2: dimethyl amine In water for 3h; Temperature; Reflux;	98.6%

Pictogram(s)
Signal	Danger
GHS Hazard Statements	H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] H310 (76.41%): Fatal in contact with skin [Danger Acute toxicity, dermal] H314 (26.98%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H315 (67.37%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (44.75%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H319 (41.03%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H331 (47.5%): Toxic if inhaled [Danger Acute toxicity, inhalation] H335 (31.99%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] H370 (32.47%): Causes damage to organs [Danger Specific target organ toxicity, single exposure] H411 (47.5%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]V Information may vary between notifications depending on impurities, additives, and other factors.
Precautionary Statement Codes	P260, P261, P262, P264, P264+P265, P270, P271, P273, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P308+P316, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P363, P391, P403+P233, P405, and P501 (The corresponding statement to each P-code can be found at the GHS Classification page.)

Transportation	Under the room temperature and away from light
HS Code
Storage	Under the room temperature and away from light
Shelf Life	1 year
Market Price	USD

Use Pattern

Catalyst for chemically recycling polyethylene terephthalate (PET)

Catalyst for selective epoxidation of epothilone derivatives

base catalyst reagentC

Trauma


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Caming Pharmaceutical Ltd	http://www.caming.com/
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Product Name	4-Dimethylaminopyridine
IUPAC Name	N,N-dimethylpyridin-4-amine
Molecular Structure
CAS Registry Number	1122-58-3
EINECS Number	214-353-5
MDL Number	MFCD00006418
Beilstein Registry Number	110354
Synonyms	dmap4-dimethylaminopyridin
Molecular Formula	C₇H₁₀N₂
Molecular Weight	122.17
InChI	InChI=1S/C7H10N2/c1-9(2)7-3-5-8-6-4-7/h3-6H,1-2H3
InChI Key	VHYFNPMBLIVWCW-UHFFFAOYSA-N
Canonical SMILES	CN(C)c1ccncc1

4-Dimethylaminopyridine CAS#: 1122-58-3 HNMR
4-Dimethylaminopyridine CAS#: 1122-58-3 CNMR