ChemicalBook--->CAS DataBase List--->934-98-5

934-98-5

934-98-5 Structure

934-98-5 Structure
IdentificationMore
[Name]

4-Methyl-1-piperazineethanamine
[CAS]

934-98-5
[Synonyms]

1-(2-AMINOETHYL)-4-METHYL-PIPERAZINE
1-(N-AMINOETHYL)-4-METHYL PIPERAZINE
2-(4-METHYLPIPERAZIN-1-YL)ETHANAMINE
2-(4-METHYL-PIPERAZIN-1-YL)-ETHYLAMINE
4-METHYL-1-PIPERAZINEETHANAMINE
AKOS BB-6128
CHEMBRDG-BB 4006383
4-methylpiperazine-1-ethylamine
1-(2-AMINOETHYL)METHYLPIPERAZINE
2-(4-Methyl-piperazin-1-yl)-ethylamine ,98%
1-Methyl-4-(2-aminoethyl)piperazine
[EINECS(EC#)]

213-296-3
[Molecular Formula]

C7H17N3
[MDL Number]

MFCD03701701
[Molecular Weight]

143.23
[MOL File]

934-98-5.mol
Chemical PropertiesBack Directory
[Boiling point ]

103°C/11.25mm
[density ]

0.956±0.06 g/cm3(Predicted)
[refractive index ]

1.4780
[storage temp. ]

Keep in dark place,Inert atmosphere,Room temperature
[form ]

liquid
[pka]

10.11±0.10(Predicted)
[color ]

Colourless to light yellow
[Sensitive ]

Air Sensitive
[Detection Methods]

GC,NMR,MS
[InChI]

InChI=1S/C7H17N3/c1-9-4-6-10(3-2-8)7-5-9/h2-8H2,1H3
[InChIKey]

GOWUDHPKGOIDIX-UHFFFAOYSA-N
[SMILES]

N1(CCN)CCN(C)CC1
[CAS DataBase Reference]

934-98-5(CAS DataBase Reference)
[Storage Precautions]

Store under nitrogen
Questions And AnswerBack Directory
[Uses]

2-(4-Methylpiperazin-1-yl)ethanamine (cas# 934-98-5) is a useful research chemical.
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302
[Precautionary statements ]

P264-P270-P301+P312-P501
[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 .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
[RIDADR ]

2735
[WGK Germany ]

WGK 3
[Hazard Note ]

Irritant
[HazardClass ]

8
[HazardClass ]

IRRITANT
[PackingGroup ]

Ⅲ
[HS Code ]

29339900
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Ethanol-->Sodium hydroxide-->Hydrochloric acid-->Ethyl acetate-->Methanol-->Diethyl ether-->Tetrahydrofuran-->Dichloromethane-->Petroleum ether-->Potassium carbonate-->Lithium Aluminum Hydride-->Acetonitrile-->Nickel-->Benzaldehyde-->1-Methylpiperazine-->Chloroacetonitrile
Hazard InformationBack Directory
[Chemical Properties]

Colorless liquid
[Definition]

ChEBI: A N-alkylpiperazine that is piperazine substituted by a methyl and a 2-aminoethyl group at the N atoms respectively.
[Synthesis]

1-(4-METHYLPIPERAZINE)ACETONITRILE

874-77-1

4-Methyl-1-piperazineethanamine

934-98-5

Step 5. To a stirred suspension of lithium aluminum hydride (3.3 g, 87 mmol) in anhydrous THF (100 mL) was slowly added a solution of 2-(4-methylpiperazin-1-yl)acetonitrile (11.2 g, 80.4 mmol) in anhydrous THF (300 mL) at 0 °C. The reaction mixture was stirred at room temperature for 1 hour. Subsequently, the mixture was cooled in an ice bath and H2O (3.3 mL) and 20% NaOH solution (3.3 mL) were added sequentially. After stirring for 20 minutes, the mixture was filtered and the solvent was evaporated. The residue was dissolved in ethyl acetate and dried with anhydrous sodium sulfate. The solvent was evaporated to dryness to give 2-(4-methylpiperazin-1-yl)ethylamine as an oil (1.15 g, 99%).1H NMR (400 MHz, CDCl3) δ: 2.21 (s, 3H), 2.20-2.60 (m, 10H), 2.71 (t, J=6.0 Hz, 2H).

[References]

[1] Journal of Medicinal Chemistry, 1999, vol. 42, # 15, p. 2870 - 2880
[2] Patent: WO2013/148365, 2013, A1. Location in patent: Paragraph 0086
[3] Bioorganic and Medicinal Chemistry, 2017, vol. 25, # 7, p. 2251 - 2259
[4] Patent: WO2016/16728, 2016, A2. Location in patent: Paragraph 000703; 000704
[5] Patent: WO2005/35532, 2005, A1. Location in patent: Page/Page column 30
Spectrum DetailBack Directory
[Spectrum Detail]

4-Methyl-1-piperazineethanamine(934-98-5)1HNMR
4-Methyl-1-piperazineethanamine(934-98-5)FT-IR
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

934-98-5(sigmaaldrich)
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