ChemicalBook--->CAS DataBase List--->74879-18-8

74879-18-8

74879-18-8 Structure

74879-18-8 Structure
IdentificationMore
[Name]

(S)-(+)-2-Methylpiperazine
[CAS]

74879-18-8
[Synonyms]

PIPERAZINE, 2-METHYL-, (2S)-
(S)-(+)-2-METHYLPIPERAZINE
(S)-2-METHYLPIPERAZINE
S-MP
L-(+)-2-Methylpiperazine S-(+)-2-Methylpiperazine
(S)-(+)-2-Methylpiperazine,98+%
(S)-(+)-2-Methylpiperazine,99+%,ee99+%
L-(+)-2-Methylpiperazine
(S)-(+)-2-METHYLPIPERAZINE , EE 99%
(S)-(+)-2-METHYLPIPERZINE
2-(S)-METHYLPIPERAZINE
(S)-(+)-2-Mmethylpiperazine, 98%
[Molecular Formula]

C5H12N2
[MDL Number]

MFCD00171452
[Molecular Weight]

100.16
[MOL File]

74879-18-8.mol
Chemical PropertiesBack Directory
[Appearance]

white to yellow crystalline powder or chunks
[Melting point ]

91-93 °C(lit.)
[alpha ]

13.5 º (c=1, toluene)
[Boiling point ]

155-156 °C
[density ]

0.9305 (estimate)
[refractive index ]

1.4378 (estimate)
[Fp ]

149 °F
[storage temp. ]

Flammables area
[form ]

Crystalline Powder, Crystals and/or Chunks
[pka]

9.31±0.40(Predicted)
[color ]

White to yellow
[Optical Rotation]

[α]20/D +6.8°, c = 1 in ethanol
[Water Solubility ]

soluble
[Sensitive ]

Air Sensitive & Hygroscopic
[BRN ]

3647995
[InChI]

1S/C5H12N2/c1-5-4-6-2-3-7-5/h5-7H,2-4H2,1H3/t5-/m0/s1
[InChIKey]

JOMNTHCQHJPVAZ-YFKPBYRVSA-N
[SMILES]

C[C@H]1CNCCN1
[CAS DataBase Reference]

74879-18-8(CAS DataBase Reference)
[Storage Precautions]

Heat sensitive
Safety DataBack Directory
[Symbol(GHS) ]

Flame (GHS02)Exclamation Mark (GHS07)
GHS02,GHS07
[Signal word ]

Danger
[Hazard statements ]

H228-H315-H319-H335
[Precautionary statements ]

P210-P302+P352-P305+P351+P338
[Hazard Codes ]

F,Xi,C
[Risk Statements ]

R11:Highly Flammable.
R36/37/38:Irritating to eyes, respiratory system and skin .
R34:Causes burns.
[Safety Statements ]

S16:Keep away from sources of ignition-No smoking .
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 .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S36:Wear suitable protective clothing .
[RIDADR ]

UN 1325 4.1/PG 2
[WGK Germany ]

3
[RTECS ]

TM1225020
[HazardClass ]

4.1
[PackingGroup ]

III
[HS Code ]

29335990
[Storage Class]

4.1B - Flammable solid hazardous materials
[Hazard Classifications]

Eye Irrit. 2
Flam. Sol. 1
Skin Irrit. 2
STOT SE 3
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

(S)-(+)-2-Methylpiperazine(74879-18-8).msds
Hazard InformationBack Directory
[Chemical Properties]

white to yellow crystalline powder or chunks
[Uses]

Valuable synthon for quinoline antibacterials.
[Synthesis]

2-Methylpiperazine

109-07-9

(R)-(-)-2-Methylpiperazine

75336-86-6

(S)-(+)-2-Methylpiperazine

74879-18-8

General procedure for the synthesis of (R)-(-)-2-methylpiperazine and (S)-2-methylpiperazine from 2-methylpiperazine: 1. In a 2L four-necked flask equipped with a thermometer, a vacuum stirrer and a cooling tube, 270 g (1.8 mol) of L-tartaric acid, 108 g (1.8 mol) of acetic acid and 270 g of water were added and stirred until completely dissolved. 2. add (±)-2-methylpiperazine 300 g (3.0 mol) and water 300 g. Heat to 85 °C or higher until completely dissolved. 3. cool to 68-74°C, add diastereomerically precipitated crystals of (R)-2-methylpiperazine and L-tartaric acid and age for 1 hour. 4. cooled to 12-18 °C over 5 h and filtered to obtain 440 g of wet biomass (diastereomeric salt) with a liquid content of 22.7 wt% and an optical purity of 92.3% ee. 5. 644 g of water and 440 g of the resulting crystals ((R)-2-methylpiperazine pure content = 132 g) were added to a 2L four-neck flask, followed by 162 g (2.2 mol) of calcium hydroxide, heated to 80 °C, and aged for 5 hours. 6. Cooled to 25 °C and filtered to give 586 g of crystals (mainly calcium L-tartrate) and 660 g of filtrate (containing 130 g of (R)-2-methylpiperazine). 7. The filtrate was concentrated under reduced pressure to a (R)-2-methylpiperazine concentration of 30%, 356 g of toluene was added, and the water was removed by azeotropic boiling by heating to 84-87 °C. 8. 212 g of toluene was distilled under reduced pressure, cooled to 47 °C, 0.01 g of (R)-2-methylpiperazine crystal seed was added and aged for 1 hour. 9. cooled to 5 °C, aged for 2 h, filtered and dried under vacuum to give 45 g of (R)-2-methylpiperazine crystals (chemical purity 100%, optical purity 99.5% ee). 10. For the synthesis of (S)-2-methylpiperazine, a similar procedure was used but with (S)-2-methylpiperazine as starting material, resulting in 66.8 g of (S)-2-methylpiperazine crystals (chemical purity 99.9%, optical purity 80.0%ee).

[References]

[1] Patent: JP2016/37495, 2016, A. Location in patent: Paragraph 0046-0052
Spectrum DetailBack Directory
[Spectrum Detail]

(S)-(+)-2-Methylpiperazine(74879-18-8)1HNMR
(S)-(+)-2-Methylpiperazine(74879-18-8)Raman
(S)-(+)-2-Methylpiperazine(74879-18-8)FT-IR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

(S)-(+)-2-Methylpiperazine, 98%(74879-18-8)
[Alfa Aesar]

(S)-(+)-2-Methylpiperazine, 99+%, ee 99+%(74879-18-8)
[Sigma Aldrich]

74879-18-8(sigmaaldrich)
[TCI AMERICA]

(S)-(+)-2-Methylpiperazine,>97.0%(T)(74879-18-8)
74879-18-8 suppliers list
Company Name: Changzhou Huanling Chemical Co., Ltd.  Gold
Telephone: 89803005 18206112582
Website: http://www.huanlingchem.com
Company Name: Changzhou HCK Biotech Co., Ltd.  Gold
Telephone: 18796480679 15295163861
Website: www.chemicalbook.com/ShowSupplierProductsList198786/0_EN.htm
Company Name: J & K SCIENTIFIC LTD.  
Telephone: 18210857532 18210857532
Website: https://www.jkchemical.com
Company Name: Meryer (Shanghai) Chemical Technology Co., Ltd.  
Telephone: 4006356688 18621169109
Website: www.x-labseek.com/
Company Name: 3B Pharmachem (Wuhan) International Co.,Ltd.  
Telephone: 18930552037
Website: www.chemicalbook.com/showsupplierproductslist13285/0_en.htm
Company Name: Alfa Aesar  
Telephone: 400-6106006
Website: http://chemicals.thermofisher.cn
Company Name: TAIYUAN RHF CO.,LTD.  
Telephone: +86 351 7031519
Website: www.rhfchem.com
Company Name: TCI (Shanghai) Development Co., Ltd.  
Telephone: 021-67121386
Website: https://www.tcichemicals.com/CN/zh/
Company Name: Energy Chemical  
Telephone: 400-0056266
Website: www.energy-chemical.com
Company Name: Capot Chemical Co., Ltd  
Telephone: +86 (0) 571 85 58 67 18
Website: www.capotchem.com
Company Name: JinYan Chemicals(ShangHai) Co.,Ltd.  
Telephone: 13817811078
Website: www.jingyan-chemical.com
Company Name: Sichuan Guanghan Bio-Tech Co., Ltd  
Telephone: +86-28-86127071
Website: www.sino-produce.com
Company Name: Jia Xing Isenchem Co.,Ltd  
Telephone: 0573-85285100 18627885956
Website: https://www.chemicalbook.com/ShowSupplierProductsList14265/0_EN.htm
Company Name: Shanghai Boc Chemical Co.,Ltd  
Telephone: 021-34975603-808 18721111801
Website: http://www.bocchem.com/
Company Name: Shanghai Longsheng chemical Co.,Ltd.  
Telephone: 58099637 13585536065
Website: www.shlshg.com
Company Name: Shanghai Hanhong Scientific Co.,Ltd.  
Telephone: 021-54306202 13764082696
Website: https://www.hanhongsci.com
Company Name: China DongFan Chemical Co.,LTD  
Telephone: 86-0571-85151182
Website: www.chemicalbook.com/ShowSupplierProductsList14819/0_EN.htm
Company Name: XiaoGan ShenYuan ChemPharm co,ltd  
Telephone: 15527621225; 15527621225
Website: http://www.farchem.com/
Tags:74879-18-8 Related Product Information
171876-65-6 140-31-8 306-37-6 109-01-3 109-07-9 99291-25-5 61477-96-1 142-63-2 50-07-7 22260-51-1 16944-60-8 2815-34-1 13327-27-0 75336-86-6 163765-44-4 15707-23-0 3138-90-7 18138-04-0