Product Name

  • Name

    1,3-Bis(4,5-dihydro-2-oxazolyl)benzene

  • EINECS 421-510-3
  • CAS No. 34052-90-9
  • Article Data19
  • CAS DataBase
  • Density 1.329 g/cm3
  • Solubility Insoluble in water
  • Melting Point 147-151 °C
  • Formula C12H12N2O2
  • Boiling Point 403.5 °C at 760 mmHg
  • Molecular Weight 216.239
  • Flash Point 159.8 °C
  • Transport Information
  • Appearance
  • Safety 22-24/25
  • Risk Codes 22
  • Molecular Structure Molecular Structure of 34052-90-9 (1,3-Bis(4,5-dihydro-2-oxazolyl)benzene)
  • Hazard Symbols
  • Synonyms 2-Oxazoline,2,2'-m-phenylenebis- (8CI);1,3-Di(2-oxazolin-2-yl)benzene;1,3-PBO;1,3-Phenylenebisoxazoline;2,2'-(1,3-Phenylene)bis(2-oxazoline);2,2'-(1,3-Phenylene)bis[4,5-dihydrooxazole];2,2'-m-Phenylenebis(2-oxazoline);BOX 210;CP Resin 1,3-PBO;CP Resin A;
  • PSA 43.18000
  • LogP 0.11140

Synthetic route

benzene-1,3-dicarbonitrile
626-17-5

benzene-1,3-dicarbonitrile

ethanolamine
141-43-5

ethanolamine

1,3-bis(4,5-dihydrooxazol-2-yl)benzene
34052-90-9

1,3-bis(4,5-dihydrooxazol-2-yl)benzene

Conditions
ConditionsYield
With chloro[1,3-bis(2,6-di-i-propylphenyl)imidazol-2-ylidene]copper(I); sodium acetate In neat (no solvent) at 100℃; for 16h; Glovebox; Inert atmosphere;92%
With tris(trifluoroacetato)bismuth(III) for 10h; Heating;88%
With sulfur; cobalt(II) nitrate In neat (no solvent) at 110℃; for 0.133333h; Time; Microwave irradiation;84%
Isophthalaldehyde
626-19-7

Isophthalaldehyde

ethanolamine
141-43-5

ethanolamine

A

3-(4,5-dihydro-oxazol-2-yl)-benzaldehyde

3-(4,5-dihydro-oxazol-2-yl)-benzaldehyde

B

1,3-bis(4,5-dihydrooxazol-2-yl)benzene
34052-90-9

1,3-bis(4,5-dihydrooxazol-2-yl)benzene

Conditions
ConditionsYield
With pyridinium hydrobromide perbromide at 20℃; for 39h;A 10%
B 83%
...Expand
Isophthalaldehyde
626-19-7

Isophthalaldehyde

ethanolamine
141-43-5

ethanolamine

1,3-bis(4,5-dihydrooxazol-2-yl)benzene
34052-90-9

1,3-bis(4,5-dihydrooxazol-2-yl)benzene

Conditions
ConditionsYield
Stage #1: Isophthalaldehyde; ethanolamine With potassium carbonate In tert-butyl alcohol at 20℃; for 0.5h; Inert atmosphere;
Stage #2: With 1,3-Diiodo-5,5-dimethyl-2,4-imidazolidinedione In tert-butyl alcohol at 50℃; for 24h; Inert atmosphere;		73%
3-(4,5-Dihydrooxazol-2-yl)benzonitrile

3-(4,5-Dihydrooxazol-2-yl)benzonitrile

ethanolamine
141-43-5

ethanolamine

1,3-bis(4,5-dihydrooxazol-2-yl)benzene
34052-90-9

1,3-bis(4,5-dihydrooxazol-2-yl)benzene

Conditions
ConditionsYield
With sodium acetate at 100℃;
benzene-1,3-dicarbonitrile
626-17-5

benzene-1,3-dicarbonitrile

1,3-bis(4,5-dihydrooxazol-2-yl)benzene
34052-90-9

1,3-bis(4,5-dihydrooxazol-2-yl)benzene

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: sodium acetate / 100 °C
2: sodium acetate / 100 °C
View Scheme
1,3-bis(4,5-dihydrooxazol-2-yl)benzene
34052-90-9

1,3-bis(4,5-dihydrooxazol-2-yl)benzene

1,3-bis(2-oxazolinyl)benzene
101614-49-7

1,3-bis(2-oxazolinyl)benzene

Conditions
ConditionsYield
With 2,3-dicyano-5,6-dichloro-p-benzoquinone In dichloromethane at 20℃; for 12h; Molecular sieve;74%
silver tetrafluoroborate
14104-20-2

silver tetrafluoroborate

1,3-bis(4,5-dihydrooxazol-2-yl)benzene
34052-90-9

1,3-bis(4,5-dihydrooxazol-2-yl)benzene

Ag4(1,3-di(2-oxazolinyl)benzene)4(BF4)4

Ag4(1,3-di(2-oxazolinyl)benzene)4(BF4)4

Conditions
ConditionsYield
In methanol; acetonitrile mixt. of 1,3-bis(oxazolin-2-yl)benzene and AgBF4 (1:1) in CH3OH stirred for 5 min, several drops of CH3CN added until soln. is clear; soln. filtered, crystn. by diffusion of Et2O into filtrate at room temp.for several d; elem. anal.;66%

1,3-Bis(4,5-dihydro-2-oxazolyl)benzene Specification

This chemical is called 1,3-Bis(4,5-dihydro-2-oxazolyl)benzene, and its systematic name is 2,2'-benzene-1,3-diylbis(4,5-dihydro-1,3-oxazole). With the molecular formula of C12H12N2O2, its molecular weight is 216.24. The CAS registry number of this chemical is 34052-90-9.

Other characteristics of the 1,3-Bis(4,5-dihydro-2-oxazolyl)benzene can be summarised as followings: (1)ACD/LogP: 1.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.41; (4)ACD/LogD (pH 7.4): 1.49; (5)ACD/BCF (pH 5.5): 6.68; (6)ACD/BCF (pH 7.4): 7.93; (7)ACD/KOC (pH 5.5): 129.05; (8)ACD/KOC (pH 7.4): 153.14; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 43.18 Å2; (13)Index of Refraction: 1.646; (14)Molar Refractivity: 59.08 cm3; (15)Molar Volume: 162.6 cm3; (16)Polarizability: 23.42×10-24cm3; (17)Surface Tension: 49.3 dyne/cm; (18)Density: 1.32 g/cm3; (19)Flash Point: 159.8 °C; (20)Enthalpy of Vaporization: 62.93 kJ/mol; (21)Boiling Point: 403.5 °C at 760 mmHg; (22)Vapour Pressure: 2.36E-06 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: This chemical is harmful if swallowed. Avoid contacting with skin and eyes. Do not breathe dust.

You can still convert the following datas into molecular structure:
1.SMILES: N\1=C(\OCC/1)c2cc(ccc2)C/3=N/CCO\3
2.InChI: InChI=1/C12H12N2O2/c1-2-9(11-13-4-6-15-11)8-10(3-1)12-14-5-7-16-12/h1-3,8H,4-7H2
3.InChIKey: HMOZDINWBHMBSQ-UHFFFAOYAM
4.Std. InChI: InChI=1S/C12H12N2O2/c1-2-9(11-13-4-6-15-11)8-10(3-1)12-14-5-7-16-12/h1-3,8H,4-7H2
5.Std. InChIKey: HMOZDINWBHMBSQ-UHFFFAOYSA-N

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