4-Tert-butyl-2-[1-(4-tert-butyl-4,5-dihydrooxazol-2-yl)-1-methyl-ethyl]-4,5-dihydrooxazole

HCID 495276
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Basic information

CAS
131833-93-7
Standard SMILES
CC(C)(C1=NC(C(C)(C)C)CO1)C1=NC(C(C)(C)C)CO1
InChIKey
DPMGLJUMNRDNMX-UHFFFAOYSA-N
Molecular formula
C17H30N2O2
Average molar mass
294.4 g/mol
Monoisotopic mass
294.2307282

Names & identifiers

Preferred name
4-Tert-butyl-2-[1-(4-tert-butyl-4,5-dihydrooxazol-2-yl)-1-methyl-ethyl]-4,5-dihydrooxazole
IUPAC
4-tert-butyl-2-[2-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)propan-2-yl]-4,5-dihydro-1,3-oxazole
English name
(S,S)-(-)-2,2'-Isopropylidenebis(4-tert-butyl-2-oxazoline)
Molecular formula
C17H30N2O2
Molecular weight
294.43

Names & synonyms

225531-61-3Oxazole, 2,2'-(1-methylethylidene)bis[4-(1,1-dimethylethyl)-4,5-dihydro-4-tert-butyl-2-[1-(4-tert-butyl-4,5-dihydrooxazol-2-yl)-1-methyl-ethyl]-4,5-dihydrooxazole2,2'-(Propane-2,2-diyl)bis(4-(tert-butyl)-4,5-dihydrooxazole)NSC6484694-tert-butyl-2-[2-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)propan-2-yl]-4,5-dihydro-1,3-oxazoleSCHEMBL1130554DTXSID20927361AKOS015917836AKOS025243656AB89538ST066883
Show more names
(4S,4'S)-2,2'-(Propane-2,2-diyl)bis(4-(tert-butyl)-4,5-dihydrooxazole)2,2'-ISOPROPYLIDENEBIS[(4S)-4-TERT-BUTYL-2-OXAZOLINE](S,S)-(-)-2,2(S,S)-(-)-2,2'Isopropylidenebisbutyloxazoline2,2-isopropylidenebis((4S)-4-tert-butyl-2-oxazol2,2-Bis[(4S)-4-tert-butyl-2-oxazolin-2-yl]propane2,2’-Isopropylidenebis[(S)-4-(tert-butyl)-2-oxazoline(S,S)-(-)-2,2-BIS(4-TERT-BUTYL-2-OXAZOLIN-2-YL)PROPANE2,2’-Isopropylidenebis[(S)-4-(tert-butyl)-2-oxazoline]
2,2'-(Propane-2,2-diyl)bis(4-tert-butyl-4,5-dihydro-1,3-oxazole)(4S)-2-{1-[(4S)-4-(tert-butyl)(1,3-oxazolin-2-yl)]-isopropyl}-4-(tert-butyl)-1 ,3-oxazoline(4S,4S)-2,2-(Propane-2,2 inverted exclamation mark -Diyl)Bis(4-(Tert-Butyl)-4,5-Dihydrooxazole)

Database identifiers

CAS
131833-93-7
PubChem CID
495276
DTXSID
DTXSID20927361
Nikkaji
J1.202.631E

Properties

Computed structural properties

XLogP
4
Topological polar surface area
43.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
21

Physicochemical properties

Melting point
89 · 89-91 °C(lit.)
Boiling point
350.4 · 350.4±25.0 °C(Predicted)
Density
1.04 · 1.04±0.1 g/cm3(Predicted)
refractive index
-118 ° · -118 ° (C=1, CHCl3)
storage temp.
Inert atmosphere,Room Temperature
solubility
2 O; · insol H2O; sol all common organic solvents

Safety & regulation

Safety data

PPE
dust mask type N95 (US), Eyeshields, Gloves
wgk
3
hs_code
29349990
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07

Chemistry & industry

Applications

UsesChiral catalyst for asymmetric synthesis. C2 symmetric ligand for enantioselective catalysis. Easily forms bidentate coordination complexes due to the strong affinity of the oxazoline nitrogen for various metals.

Preparation methods

Preparation(S,S)-(-)-2,2'-ISOPROPYLIDENEBIS(4-TERT-BUTYL-2-OXAZOLINE) is readily prepared from chiral β-amino alcohols using standard methods for the synthesis of 2-oxazolines.

Upstream & downstream products

Suppliers100 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
陕西科贝莱药物研发有限公司13119135307 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
天津长江化学有限公司19129375004; 15321929114 · [email protected]

Related reactions

5 records
New reaction record

Compound notes

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