(4R)-4-tert-Butyl-1,3-oxazolidin-2-one

HCID 2734860CAS 142618-93-7

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Basic information

Standard SMILES: CC(C)(C)[C@@H]1COC(=O)N1
InChIKey: WKUHGFGTMLOSKM-YFKPBYRVSA-N
Molecular formula: C7H13NO2
Average molar mass: 143.18 g/mol
Monoisotopic mass: 143.09462866

Names & identifiers

Preferred name: (4R)-4-tert-Butyl-1,3-oxazolidin-2-one
IUPAC: (4R)-4-tert-butyl-1,3-oxazolidin-2-one
English name: (R)-(+)-4-tert-Butyl-2-oxazolidinone
Molecular formula: C7H13NO2
Molecular weight: 143.18

Names & synonyms

142618-93-7(4R)-4-tert-butyl-1,3-oxazolidin-2-oneDTXSID30370541RefChem:209170DTXCID10321576(R)-(+)-4-tert-Butyl-2-oxazolidinone(R)-4-tert-butyl-2-oxazolidinone(R)-4-(tert-Butyl)oxazolidin-2-oneMFCD00673334(4R)-4-tert-butyloxazolidin-2-one2-Oxazolidinone,4-(1,1-dimethylethyl)-, (4R)-(R)-(+)-4-tert-Butyl-2-oxazolidinone, 99%

Show more names

(R)-(+)-4-T-BUTYL-2-OXAZOLIDINONE(R)-(+)-4-tert-Butyl-2-oxazolidinone 99%(R)-(+)-4-TERT-BUTYL-2-OXAZOLIDINONE, 99 %(R)-4-tert-Butyl-2-oxazolidinone - [B91168]

(R)-(-)-4-tert-Butyl-2-oxazolidinone(R)-4-tert-butyloxazolidin-2-oneA807935(R)-(+)-4-tert-bSCHEMBL2365758(4R)-4-tert-butyl-2-oxazolidinoneAKOS006237441AT13635

Database identifiers

CAS: 142618-93-7
PubChem CID: 2734860
DTXSID: DTXSID30370541
Nikkaji: J462.967A

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 38.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 148

Physicochemical properties

Melting point: 119 · 119-122 °C(lit.)
Boiling point: 289.1 · 289.1±7.0 °C(Predicted)
Density: 1.033 · 1.033±0.06 g/cm3(Predicted)
storage temp.: Store at room temperature
pka: 12.84 · 12.84±0.40(Predicted)
Appearance: White to off-white Solid
optical activity: 23 · [α]23/D +17°, c = 6 in ethanol
InChI: 1S/C7H13NO2/c1-7(2,3)5-4-10-6(9)8-5/h5H,4H2,1-3H3,(H,8,9)/t5-/m0/s1
InChIKey: WKUHGFGTMLOSKM-YFKPBYRVSA-N
SMILES: CC(C)(C)[C@@H]1COC(=O)N1
UNSPSC Code: 12352005 · 12352005
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
WGK Germany: 3 · 3
Storage Class: 11 · 11 - Combustible Solids

Safety & regulation

Safety data

wgk: 3
Signal word: Warning
Symbol(GHS): GHS07
Storage Class: 11 - Combustible Solids
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501