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Basic information
- CAS
19312-06-2- Standard SMILES
CC1(C)COC(c2ccccc2)=N1- InChIKey
UGNSMKDDFAUGFT-UHFFFAOYSA-N- Molecular formula
- C11H13NO
- Average molar mass
- 175.23 g/mol
- Monoisotopic mass
- 175.09971404
Names & identifiers
- Preferred name
- 4,4-Dimethyl-2-phenyl-2-oxazoline
- IUPAC
- 4,4-dimethyl-2-phenyl-5H-1,3-oxazole
- English name
- 4,4-Dimethyl-2-phenyl-2-oxazoline
- Molecular formula
- C11H13NO
- Molecular weight
- 175.23
Names & synonyms
4,4-Dimethyl-2-phenyl-2-oxazolineDTXSID50302425RefChem:507399DTXCID00253559628-133-519312-06-24,4-Dimethyl-2-phenyl-4,5-dihydro-1,3-oxazole4,4-dimethyl-2-phenyl-5H-1,3-oxazole4,4-dimethyl-2-phenyl-4,5-dihydrooxazoleMFCD000304464,4-dimethyl-2-phenyl-5H-oxazoleoxazole, 4,5-dihydro-4,4-dimethyl-2-phenyl-
Show more names
4,4-dimethyl-2-phenyl-2-azoleline4,4-Dimethyl-2-phenyl-2-oxazoline 96%
4,5-Dihydro-4,4-dimethyl-2-(phenyl-3-d)oxazoleNSC15092457193-18-7ChemDiv2_000515SCHEMBL342910SCHEMBL4794728SCHEMBL8488526SCHEMBL27380143
Database identifiers
- CAS
19312-06-2- PubChem CID
- 289239
- DTXSID
DTXSID50302425- EC Number
- 628-133-5
- Nikkaji
- J445.720J
Properties
Computed structural propertiesFilling in
- XLogP
- 2
- Topological polar surface area
- 21.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 214
Physicochemical properties
- Melting point
- 20 · 20-24 °C(lit.)
- Boiling point
- 124 °C20 · 124 °C20 mm Hg(lit.)
- Density
- 1.025 g/mL · 1.025 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.5322(lit.)
- Flash point
- 217 °F · 217 °F
- storage temp.
- 2 · 2-8°C, stored under nitrogen
- pka
- 4.82 · 4.82±0.70(Predicted)
- Appearance
- 24 °C · Colorless to off-white 24°C Liquid
- BRN
- 132225 · 132225
- InChI
- 1S/C11H13NO/c1-11(2)8-13-10(12-11)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
- InChIKey
- UGNSMKDDFAUGFT-UHFFFAOYSA-N
- SMILES
- CC1(C)COC(=N1)c2ccccc2
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
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
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39
- Storage Class
- 10 - Combustible liquids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P264-P280a-P321-P332+P313-P337+P313-P261-P305+P351+P338
Chemistry & industry
Applications
Uses4,4-Dimethyl-2-phenyl-2-oxazoline may be used in the synthesis of an ester-ammonium salt via rupture of oxazoline ring.
General Description4,4-Dimethyl-2-phenyl-2-oxazoline is an 2-aryl-2-oxazoline and has been tested as as ligand for the Suzuki coupling reaction of aryl bromides and arylboronic acids. 4,4-Dimethyl-2-phenyl-2-oxazoline forms mildly hygroscopic complexes, of general formulae [ZnX2(ox)2] (ox =4,4-Dimethyl-2-phenyl-2-oxazoline), with ether solutions of [ZnX2] (X = Cl, Br, I).Except ZnI2, which does not form an isolable complex due to steric reasons.
Upstream & downstream products
Downstream products
Suppliers27 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
焦作沃恩生物科技有限责任公司0391-3702345 18739121806 · [email protected]
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
Related reactions
3 records
Compound notes
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