CAS 84025-81-0 (2R)-2-(Methoxymethyl)pyrrolidine (HCID 671216)

Substructure search Find similar structures

Basic information

CAS: 84025-81-0
Standard SMILES: COC[C@H]1CCCN1
InChIKey: CHPRFKYDQRKRRK-ZCFIWIBFSA-N
Molecular formula: C6H13NO
Average molar mass: 115.17 g/mol

Names & identifiers

Preferred name: (2R)-2-(Methoxymethyl)pyrrolidine
IUPAC: (2R)-2-(methoxymethyl)pyrrolidine
English name: O-Methyl-D-prolinol
Molecular formula: C6H13NO
Molecular weight: 115.17

Names & synonyms

84025-81-0(2R)-2-(methoxymethyl)pyrrolidineRefChem:397075626-408-4(R)-2-(Methoxymethyl)pyrrolidine(R)-(-)-2-(Methoxymethyl)pyrrolidineO-Methyl-D-prolinolMFCD00066219(2R)-2-(Methoxymethyl)-pyrrolidine(R)-2-(Methoxymethyl)-pyrrolidine(R)-2-METHOXYMETHYLPYRROLIDINESCHEMBL59330

Show more names

D-Prolinol methyl etherO-METHYL-D-PROLINOL USP/EP/BP(R)-2-(Methoxymethyl)pyrrolidine>(R)-(+)-2-(METHOXYMETHYL)PYRROLIDINE(R)-2-(Methoxymethyl)-pyrrolidine HCl

(R)-(+)-2-(METHOXYMETHYL)PYRROLIDINE(2r)-2-methoxymethyl-pyrrolidine(R)-2-methoxymethyl-pyrrolidineAKOS015851503TS-01599(R)-(-)-2-(Methoxymethyl)pyrrolidine, >=98.0% (sum of enantiomers, GC)PYRROLIDINE, 2-(METHOXYMETHYL)-, (2R)-SCHEMBL173550

Database identifiers

CAS: 84025-81-0
PubChem CID: 671216
EC Number: 626-408-4
Nikkaji: J1.060.262I

Properties

Computed structural properties

XLogP: 0.2
Topological polar surface area: 21.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 8
Formal charge: 0
Complexity: 65.5

Physicochemical properties

Boiling point: 61 · 61-62°C 40mm
alpha: -2.4 o · -2.4o (C=2% IN BENZENE)
Density: 0.932 g/mL · 0.932 g/mL at 20 °C(lit.)
refractive index: 20 · n20/D 1.446
Flash point: 45 °C · 45°C
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
form: Liquid
pka: 10.01 · 10.01±0.10(Predicted)
color: Clear colorless
optical activity: 20 · [α]20/D 2.4±0.3°, c = 2% in benzene
Sensitive: Air Sensitive
BRN: 4229755 · 4229755
InChI: InChI=1S/C6H13NO/c1-8-5-6-3-2-4-7-6/h6-7H,2-5H2,1H3/t6-/m1/s1
InChIKey: CHPRFKYDQRKRRK-ZCFIWIBFSA-N
SMILES: N1CCC[C@@H]1COC
CAS DataBase Reference: 84025 · 84025-81-0(CAS DataBase Reference)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H226 (97.8%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 3 (97.8%)

Safety data

F: 3-10-34
wgk: 3
ridadr: UN 1993 3/PG 3
hs_code: 29339900
risk_code: 10-36/37/38
Signal word: Warning
Symbol(GHS): GHS02,GHS07
hazard_code: Xi
safety_code: 26-36
hazard_class: 3
packing_group: III
Hazard statements: H226-H315-H319-H335
Limited Quantities: 5.0 L (1.3 gallons) (liquid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Precautionary statements: P210-P303+P361+P353-P405-P501a-P261-P305+P351+P338

Chemistry & industry

Applications · 1 item

Uses(2R)-2-(Methoxymethyl)-pyrrolidine is a useful synthetic intermediate. It can be used to prepare pyrazolo[3,4-d]pyrimidinylamino pyrrolecarboxamides for potential use as antitumor agents with reduced neutropenic side effects. It can be also used to synthesize heteroaryl pyrimidinylacetamides as A2A receptor antagonists.