(S)-(-)-N-Boc-prolinol
Basic information
- CAS
69610-40-8- Standard SMILES
CC(C)(C)OC(=O)N1CCC[C@H]1CO- InChIKey
BFFLLBPMZCIGRM-QMMMGPOBSA-N- Molecular formula
- C10H19NO3
- Average molar mass
- 201.26 g/mol
- Monoisotopic mass
- 201.13649347
Overview
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Names & identifiers
- Preferred name
- (S)-(-)-N-Boc-prolinol
- IUPAC
- tert-butyl (2S)-2-(hydroxymethyl)pyrrolidine-1-carboxylate
- English name
- BOC-L-Prolinol
- Molecular formula
- C10H19NO3
- Molecular weight
- 201.26
Names & synonyms
(S)-(-)-N-BOC-PROLINOLRefChem:4077201-PYRROLIDINECARBOXYLIC ACID, 2-(HYDROXYMETHYL)-, 1,1-DIMETHYLETHYL ESTER, (2S)-N-Boc-L-prolinol69610-40-8Boc-L-Prolinoltert-butyl (S)-2-(hydroxymethyl)pyrrolidine-1-carboxylatetert-butyl (2S)-2-(hydroxymethyl)pyrrolidine-1-carboxylate(S)-1-Boc-2-pyrrolidinemethanolBOC-PRO-OL1-Boc-L-Prolinol(S)-tert-butyl 2-(hydroxymethyl)pyrrolidine-1-carboxylate
Show more names
BOC-L-PRO-OLBOC prololBoc-Proninol
(S)-(-)-1-Boc-2-pyrrolidinemethanolN-(tert-Butoxycarbonyl)-L-prolinol1-BOC-2-(S)-pyrrolidinemethanolBOC-PROLINOLMFCD00066232(S)-1-(tert-Butoxycarbonyl)-2-pyrrolidinemethanolB3077BP-13138
Database identifiers
- CAS
69610-40-8- PubChem CID
- 643448
- DTXSID
DTXSID80349181- ChEMBL
CHEMBL4764441- Nikkaji
- J187.468C
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 210
Physicochemical properties
- Melting point
- 62 · 62-64 °C (lit.)
- Boiling point
- 150 °C · 150 °C / 4mmHg
- alpha
- -52 · -52 º (c=1, CHCl3)
- Density
- 1.0948 · 1.0948 (rough estimate)
- refractive index
- -55 ° · -55 ° (C=5, MeOH)
- storage temp.
- 2 · Sealed in dry,2-8°C
- solubility
- Chloroform (Slightly), Methanol (Slightly), Water (Slightly)
- form
- Crystalline Powder
- pka
- 14.77 · 14.77±0.10(Predicted)
- color
- White
- optical activity
- 21 · [α]21/D 48°, c = 1.3 in chloroform
- Water Solubility
- insoluble
- BRN
- 3542667 · 3542667
- Major Application
- peptide synthesis
- InChI
- 1S/C10H19NO3/c1-10(2,3)14-9(13)11-6-4-5-8(11)7-12/h8,12H,4-7H2,1-3H3/t8-/m0/s1
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory Information(S) - (-) -N-Boc - prolinol: Does not have an individual approval but may be used under an appropriate group standard
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 29339900
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Applications
UsesBuilding block for novel nicotinic acetylcholine receptor ligands with cognition-enhancing properties. Used in the synthesis of chiral β-amino sulfides and β-amino thiols.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
171 records
Compound notes
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