Basic information
- CAS
63126-47-6- Standard SMILES
COC[C@@H]1CCCN1- InChIKey
CHPRFKYDQRKRRK-LURJTMIESA-N- Molecular formula
- C6H13NO
- Average molar mass
- 115.17 g/mol
- Monoisotopic mass
- 115.09971404
Overview
(S)-2-(methoxymethyl)pyrrolidine is a member of the class of pyrrolidines in which the only substituent is a methoxymethyl group at position 2 (the S-enantiomer0. It is an ether and a member of pyrrolidines.
Names & identifiers
- Preferred name
- (S)-(+)-2-(Methoxymethyl)pyrrolidine
- IUPAC
- (2S)-2-(methoxymethyl)pyrrolidine
- English name
- (S)-(+)-2-(Methoxymethyl)pyrrolidine
- Molecular formula
- C6H13NO
- Molecular weight
- 115.17
Names & synonyms
(S)-(+)-2-(Methoxymethyl)pyrrolidineDTXSID101291148(+)-(S)-2-(Methoxymethyl)pyrrolidineNSC 305701RefChem:407600DTXCID001721748626-212-963126-47-6(S)-2-(Methoxymethyl)pyrrolidine(2S)-2-(methoxymethyl)pyrrolidineO-Methyl-L-prolinolMFCD00010408
Show more names
SMPH-PRO-OL(ME)H-S-PYR-MEOMEL-Prolinol-OMeO-METHYL-D-PROLINOLPROLINOL-METHYL-ETHERL-PROLINOL METHYL ETHERO-Methyl-L-prolinol, SMP
(S)-2-METHOXYMETHYLPYRROLIDINE(S)-(+)-2-(Methoxymethyl)pyrolidinePYRROLIDINE, 2-(METHOXYMETHYL)-, (2S)-SCHEMBL60633AKOS015851527(S)-(+)-2-(methoxymethyl)-pyrrolidineAS-11139EN300-318141
Database identifiers
- CAS
63126-47-6- PubChem CID
- 671217
- DTXSID
DTXSID101291148- ChEBI
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 21.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 65.5
Physicochemical properties
- Boiling point
- 62 °C40 · 62 °C40 mm Hg(lit.)
- Density
- 0.933 g/mL · 0.933 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.446
- Flash point
- 114 °F · 114 °F
- storage temp.
- 2 · Keep in dark place,Inert atmosphere,2-8°C
- solubility
- 2 O, · sol H2O, ether, dichloromethane.
- form
- Liquid
- pka
- 10.01 · 10.01±0.10(Predicted)
- color
- Clear colorless to yellow
- optical activity
- 20 · [α]20/D +2.4°, c = 2 in benzene
- Sensitive
- Air Sensitive
- BRN
- 3587324 · 3587324
- InChI
- InChI=1S/C6H13NO/c1-8-5-6-3-2-4-7-6/h6-7H,2-5H2,1H3/t6-/m0/s1
- InChIKey
- CHPRFKYDQRKRRK-LURJTMIESA-N
- SMILES
- N1CCC[C@H]1COC
- CAS DataBase Reference
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H226 (100%): 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 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- F
- 3-9-34
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- 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
- Storage Class
- 3 - Flammable liquids
- packing_group
- III
- target organs
- Respiratory system
- Hazard statements
Chemistry & industry
Applications
Uses(S)-(+)-2-(Methoxymethyl)pyrrolidine may be used to prepare planar chiral 2-phospha[3]ferrocenophanes. It may also be used as an organocatalyst in the cross-aldol reaction of dihydroxyacetone with p-nitrobenzaldehyde to form the corresponding polyol. SMP reacts with benzoylformic acid to form (S)-N-benzoylformyl-2-(methoxymethyl)-pyrrolidine.
Suppliers100 total
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
苏州道澜生物医药科技有限公司15952404857 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
苏州启航生物科技有限公司18151111370 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
Related reactions
50 records
Compound notes
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