(S)-Benzyl (2-oxooxetan-3-YL)carbamate
Basic information
- CAS
26054-60-4- Standard SMILES
O=C(N[C@H]1COC1=O)OCc1ccccc1- InChIKey
CWFZPRQDHIUBDO-VIFPVBQESA-N- Molecular formula
- C11H11NO4
- Average molar mass
- 221.21 g/mol
- Monoisotopic mass
- 221.06880783
Names & identifiers
- Preferred name
- (S)-Benzyl (2-oxooxetan-3-YL)carbamate
- IUPAC
- benzyl N-[(3S)-2-oxooxetan-3-yl]carbamate
- English name
- N-Carbobenzoxy-L-serine beta-lactone
- Molecular formula
- C11H11NO4
- Molecular weight
- 221.21
Names & synonyms
26054-60-4(S)-BENZYL (2-OXOOXETAN-3-YL)CARBAMATEbenzyl N-[(3S)-2-oxooxetan-3-yl]carbamateN-Carbobenzyloxy-L-serine-beta-LactoneN-Carbobenzoxy-L-serine beta-LactoneN-Carbobenzyloxy-L-serine b-LactoneMFCD01318309N-Carbobenzyloxy-L-serine |A-LactoneN-Cbz-L-serine beta-Lactone(S)-N-Cbz-3-aminooxetan-2-oneCarbamic acid, N-[(3S)-2-oxo-3-oxetanyl]-, phenylmethyl esterCHEMBL1214255
Show more names
Z-Ser-β-LactoneCbz-L-Serine β-LactoneN-Cbz-L-serine β-LactonecarbobenzoxyserinelactoneN-Carbobenzoxy-L-serine β-lactoneN-Carbobenzoxy-L-serine β-LactoneN-Carbobenzyloxy-L-serine β-Lactone
DTXSID00333188PD193115N-((3S)-2-Oxooxetan-3-yl)(phenylmethoxy)carboxamide(S)-benzyl 2-oxooxetan-3-ylcarbamateZ-Ser--LactoneZ-Ser-?-Lactonebenzyl (S)-(2-oxooxetan-3-yl)carbamateCarbamic acid, [(3S)-2-oxo-3-oxetanyl]-, phenylmethyl ester
Database identifiers
- CAS
26054-60-4- PubChem CID
- 489182
- DTXSID
DTXSID00333188- ChEMBL
CHEMBL1214255- Nikkaji
- J603.138B
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 273
Physicochemical properties
- Melting point
- 129 · 129-130°C
- Boiling point
- 425.5 · 425.5±44.0 °C(Predicted)
- Density
- 1.31 · 1.31±0.1 g/cm3(Predicted)
- refractive index
- -25.5 ° · -25.5 ° (C=1, CH3CN)
- storage temp.
- 2 · Inert atmosphere,2-8°C
- solubility
- Acetonitrile (Sparingly, Sonicated), Chloroform (Slightly), Methanol (Slightly)
- pka
- 10.32 · 10.32±0.20(Predicted)
- form
- powder to crystal
- color
- White to Almost white
- optical activity
- -24.401 ° · -24.401° (C=1.00 g/100ml, ACN)
- InChIKey
- CWFZPRQDHIUBDO-VIFPVBQESA-N
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2932.20.4500
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302+H312+H332-H315-H319-H335
- Precautionary statements
- P261-P280-P305+P351+P338
Chemistry & industry
Applications
UsesN-Carbobenzyloxy-L-serine β-Lactone (cas# 26054-60-4) is a compound useful in organic synthesis.
Upstream & downstream products
Upstream raw materials
Downstream products
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Related reactions
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