ChemicalBook--->CAS DataBase List--->41720-98-3

41720-98-3

41720-98-3 Structure

41720-98-3 Structure
IdentificationMore
[Name]

(R)-2-Methyl-pyrrolidine
[CAS]

41720-98-3
[Synonyms]

D-2-METHYLPYRROLIDINE
METHYLPYRROLIDINE(S-2-)
(R)-2-METHYL-PYRROLIDINE
(S)-(+)-2-METHYLPYRROLIDINE
(S)-2-METHYL-PYRROLIDINE
(2R)-2-Methylpyrrolidine
(2R)-2-Methylpyrrolidinehydrochloride
(2R)-2-Methylpyrrolidine hcl
[Molecular Formula]

C5H11N
[MDL Number]

MFCD07779425
[Molecular Weight]

85.15
[MOL File]

41720-98-3.mol
Chemical PropertiesBack Directory
[Boiling point ]

94 °C(Press: 728 Torr)
[density ]

0.842
[refractive index ]

1.4353
[Fp ]

45 ºF
[storage temp. ]

2-8°C
[form ]

oil
[pka]

10.93±0.10(Predicted)
[color ]

Colourless to pale yellow
[Water Solubility ]

Insoluble in water.
[InChI]

InChI=1S/C5H11N/c1-5-3-2-4-6-5/h5-6H,2-4H2,1H3/t5-/m1/s1
[InChIKey]

RGHPCLZJAFCTIK-RXMQYKEDSA-N
[SMILES]

N1CCC[C@H]1C
[CAS DataBase Reference]

41720-98-3(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

C,F
[Risk Statements ]

R11:Highly Flammable.
R22:Harmful if swallowed.
R34:Causes burns.
[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 .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
[RIDADR ]

UN 2924
[WGK Germany ]

3
[Hazard Note ]

Corrosive/Highly Flammable
[HazardClass ]

3
[PackingGroup ]

[HS Code ]

29339900
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

Acute Tox. 4 Oral
Flam. Liq. 2
Skin Corr. 1B
Raw materials And Preparation ProductsBack Directory
[Raw materials]

2-METHYL-1H-PYRROLE-->Sodium triacetoxyborohydride-->(R)-(+)-1-Phenylethanol-->L-(+)-Prolinol-->2-Methyl-1-pyrroline-->D(+)-Glucose-->Sodium Phosphate Monobasic Monohydrate
Hazard InformationBack Directory
[Uses]

Building block used in a multikilogram synthesis of a chiral naphthalenoid histamine receptor antagonist.
[Uses]

It is used as a building block used in a multikilogram synthesis of a chiral naphthalenoid histamine receptor antagonist.
[Application]

(R)-2-Methyl-pyrrolidine, an optically active amine that can be used as a key building block to synthesize:
4,5-fused pyridazinone derivatives are applicable as potent histamine H3 receptor antagonists.
Naphthalenoid histamine H3 receptor antagonist.
Pyrrolo[2,3-d]pyrimidine derivatives as potent inhibitors of leucine-rich repeat kinase 2.
[Definition]

ChEBI: (R)-2-methylpyrrolidine is a 2-methylpyrrolidine that has (R)-configuration. It is a conjugate base of a (R)-2-methylpyrrolidinium.
[Synthesis]

2-Methyl-1-pyrroline

872-32-2

2-Methylpyrrolidine

765-38-8

The general procedure for the synthesis of 2-methylpyrrolidine from 2-methylpyrroline was as follows: the whole-cell biotransformation reaction was carried out in sodium phosphate buffer (100 mM, pH 7.0) at 30 °C and 1000 rpm. Freshly harvested resting cells of E. coli BL21(DE3) expressing IRED with a final OD600nm adjusted to 90 were used.The reaction mixture contained 2.5 or 5 mM of imine substrate and 50 mM of glucose.

[References]

Synthesis and structure-activity relationships of 4,5-fused pyridazinones as histamine H3 receptor antagonists. DOI:10.1016/j.bmcl.2011.08.045
Efficient and Practical Synthesis of (R)-2-Methylpyrrolidine DOI:10.1021/jo060319n
Synthesis of (R)-2-Methylpyrrolidine
Spectrum DetailBack Directory
[Spectrum Detail]

(R)-2-Methyl-pyrrolidine(41720-98-3)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

41720-98-3(sigmaaldrich)
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