n-boc-proline-meldrum's acid adduct, dmap salt
Basic information
- CAS
462101-57-1- Standard SMILES
CC(C)(C)OC(=O)N1CCC[C@H]1C(O)=C1C(=O)OC(C)(C)OC1=O.CN(C)c1ccncc1- InChIKey
PGSFFDSELIBTQZ-FVGYRXGTSA-N- Molecular formula
- C23H33N3O7
- Average molar mass
- 463.5 g/mol
- Monoisotopic mass
- 463.2318504
Names & identifiers
- Preferred name
- n-boc-proline-meldrum's acid adduct, dmap salt
- IUPAC
- tert-butyl (2S)-2-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)-hydroxymethyl]pyrrolidine-1-carboxylate;N,N-dimethylpyridin-4-amine
- English name
- N-Boc-proline-meldrum's acid adduct, DMAP salt
- Molecular formula
- C16H23NO7.C7H10N2
- Molecular weight
- 463.528
Names & synonyms
462101-57-1RefChem:829350651-601-5(S)-tert-Butyl 2-((2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)(hydroxy)methyl)pyrrolidine-1-carboxylate compound with N,N-dimethylpyridin-4-amine (1:1)tert-butyl (2S)-2-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)-hydroxymethyl]pyrrolidine-1-carboxylate;N,N-dimethylpyridin-4-amineAKOS024411364(S)-tert-Butyl 2-((2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)(hydroxy)methyl)pyrrolidine-1-carboxylate N,N-dimethylpyridin-4-amine saltN-Boc-proline-meldrum's acid adduct, DMAP saltN-Boc-proline-meldrum's acid adduct, DMAP salt
Database identifiers
- CAS
462101-57-1- PubChem CID
- 90486409
- EC Number
- 651-601-5
Properties
Computed structural properties
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 653
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H315
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H335-H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Suppliers
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Related reactions
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Compound notes
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