(S)-(-)-3-tert-Butoxycarbonyl-4-formyl-2,2-dimethyl-1,3-oxazolidine

C11H19NO4CAS 102308-32-7229.28 g/mol

Open in Covalent MOL file
NOOOO
AldehydeCarbamateEther

Properties

Molecular formula
C11H19NO4
Molar mass
229.28 g/mol
Exact mass
229.1314 Da
logP
1.56Crippen estimate
Polar surface area
55.8 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
1
Stereocentres
Sin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from 49 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
102308-32-7
SMILES
CC1(N([C@@H](CO1)C=O)C(=O)OC(C)(C)C)C
InChIKey
PNJXYVJNOCLJLJ-MRVPVSSYSA-N
InChI
InChI=1S/C11H19NO4/c1-10(2,3)16-9(14)12-8(6-13)7-15-11(12,4)5/h6,8H,7H2,1-5H3/t8-/m1/s1

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Names and synonyms

1 names
  • 3-Boc-2,2-dimethyloxazolidine-4-carboxaldehyde, (S)-(-)-

Work with (S)-(-)-3-tert-Butoxycarbonyl-4-formyl-2,2-dimethyl-1,3-oxazolidine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(R)-Garner aldehyde95715-87-0Enantiomer

Similar compounds

3-tert-Butyl 4-methyl (4S)-2,2-dimethyl-1,3-oxazolidine-3,4-dicarboxylate108149-60-657 % similar (R)-Methyl-3-(tert-butoxycarbonyl)-2,2-dimethyl-4-oxazolidinecarboxylate95715-86-957 % similar 1,1-Dimethylethyl (2S)-2-formyl-1-pyrrolidinecarboxylate69610-41-951 % similar N-(tert-Butoxycarbonyl)-D-prolinal73365-02-351 % similar tert-Butyl 3-formylazetidine-1-carboxylate177947-96-549 % similar 1-tert-Butoxycarbonyl-4-piperidinecarboxaldehyde137076-22-347 % similar tert-Butyl (R)-3-formylpyrrolidine-1-carboxylate191347-94-144 % similar (S)-tert-Butyl 3-formylpyrrolidine-1-carboxylate191348-04-644 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-((2R)-1-((tert-Butoxy)carbonyl)pyrrolidin-2-yl)acetic acid101555-60-6 (2S)-1-(tert-Butoxycarbonyl)-2-methylpyrrolidine-2-carboxylic acid103336-06-7 L-Glutamic acid 5-cyclohexyl ester112471-82-6 1-[(tert-Butoxy)carbonyl]piperidine-2-carboxylic acid118552-55-9 1-tert-Butyl 3-methyl pyrrolidine-1,3-dicarboxylate122684-33-7 Methyl cis-3-(boc-amino)C...142733-63-9 (αS)-α-[[(1,1-Dimethylethoxy)carbonyl]amino]cyclobutaneacetic acid155905-77-4 1-(1,1-Dimethylethyl) (3R)-1,3-piperidinedicarboxylate163438-09-3

Elsewhere

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