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[[4-[[2-(1-Methylethoxy)ethoxy]methyl]phenoxy]methyl]oxirane
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Name

[[4-[[2-(1-Methylethoxy)ethoxy]methyl]phenoxy]methyl]oxirane

 EINECS 613-981-0
CAS No. 66722-57-4 Density 1.084 g/cm3
PSA 40.22000 LogP 2.40580
Solubility N/A Melting Point N/A
Formula C15H22O4 Boiling Point 362.6 °C at 760 mmHg
Molecular Weight 266.337 Flash Point 118.2 °C
Transport Information N/A Appearance pale yellow oil
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 66722-57-4 ([[4-[[2-(1-Methylethoxy)ethoxy]methyl]phenoxy]methyl]oxirane) Hazard Symbols N/A
Synonyms

Oxirane,[[4-[[2-(1-methylethoxy)ethoxy]methyl]phenoxy]methyl]- (9CI);2-[(4-{[2-(propan-2-yloxy)ethoxy]methyl}phenoxy)methyl]oxirane;oxirane, 2-[[4-[[2-(1-methylethoxy)ethoxy]methyl]phenoxy]methyl]-;[[4-[[2-(1-Methylethoxy)ethoxy]methyl]phenoxy]methyl]oxirane;

Article Data 3

[[4-[[2-(1-Methylethoxy)ethoxy]methyl]phenoxy]methyl]oxirane Synthetic route

177034-57-0

4-(2-isopropoxy-ethoxymethyl)-phenol

106-89-8

epichlorohydrin

66722-57-4

1-(2,3-epoxypropoxy)-4-[2-(isopropoxy)-ethoxymethyl]-benzene

Conditions
ConditionsYield
With potassium hydroxide In dimethyl sulfoxide Heating;
109-59-1

2-(1-methylethoxy)-ethanol

66722-57-4

1-(2,3-epoxypropoxy)-4-[2-(isopropoxy)-ethoxymethyl]-benzene

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: cation exchange resin AG 50W-X8 / Heating
2: KOH / dimethylsulfoxide / Heating
View Scheme
623-05-2

(4-hydroxyphenyl)methanol

66722-57-4

1-(2,3-epoxypropoxy)-4-[2-(isopropoxy)-ethoxymethyl]-benzene

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: cation exchange resin AG 50W-X8 / Heating
2: KOH / dimethylsulfoxide / Heating
View Scheme

4-[(2-isopropoxyethoxy)methyl]-phenol sodium salt

106-89-8

epichlorohydrin

66722-57-4

1-(2,3-epoxypropoxy)-4-[2-(isopropoxy)-ethoxymethyl]-benzene

Conditions
ConditionsYield
In water at 60 - 65℃; for 1h;
133155-44-9

6-[4-(2-aminoethoxy)-3-methyl-phenyl]-3(2H)-pyridazinone

66722-57-4

1-(2,3-epoxypropoxy)-4-[2-(isopropoxy)-ethoxymethyl]-benzene

133155-22-3

6-[4-[2-[3-(4-(2-isopropoxyethoxy-methyl)phenoxy)-2-hydroxy-propylamino]ethoxy]-3-methyl-phenyl]-3(2H)-pyridazinone

Conditions
ConditionsYield
35%
117826-24-1

6-[4(2-Amino-ethoxy)-phenyl]-4,5-dihydro-2H-pyridazin-3-one

66722-57-4

1-(2,3-epoxypropoxy)-4-[2-(isopropoxy)-ethoxymethyl]-benzene

133154-64-0

6-[4-[2-[3-(4-((2-isopropoxyethoxy)methyl)phenoxy)-2-hydroxy-propylamino]ethoxy]phenyl]-4,5-dihydro-3(2H)-pyridazinone

Conditions
ConditionsYield
25%

6-[4-(3-aminopropylsulphonyl]phenyl]-3(2H)-pyridazinone

66722-57-4

1-(2,3-epoxypropoxy)-4-[2-(isopropoxy)-ethoxymethyl]-benzene

133155-15-4

6-[4-[3-[3-(4-(2-Isopropoxyethoxymethyl)phenoxy)-2-hydroxypropylamino]propylsulphonyl]phenyl]-4,5-dihydro-3(2H)-pyridazinone

Conditions
ConditionsYield
23%
6-4-(3-aminopropoxy)-3-methyl-phenyl]-4,5-dihydro-3(2H)-pyridazinone

6-4-(3-aminopropoxy)-3-methyl-phenyl]-4,5-dihydro-3(2H)-pyridazinone

66722-57-4

1-(2,3-epoxypropoxy)-4-[2-(isopropoxy)-ethoxymethyl]-benzene

133154-51-5

6-[4-[3-[3-(4-(2-Isopropoxyethoxy-methyl)phenoxy)-2-hydroxypropylamino]propoxy]-3-methyl-phenyl]-4,5-dihydro-3(2H)-pyridazinone

Conditions
ConditionsYield
21%
133155-51-8

6-[4-(2-amino-ethoxy)-3-chloro-phenyl]-4,5-dihydro-2H-pyridazin-3-one

66722-57-4

1-(2,3-epoxypropoxy)-4-[2-(isopropoxy)-ethoxymethyl]-benzene

133154-57-1

6-[4-[2-[3-(4-(2-isopropoxyethoxy-methyl)phenoxy)-2-hydroxy-propylamino]ethoxy]-3-chloro-phenyl]-4,5-dihydro-3(2H)-pyridazinone

Conditions
ConditionsYield
19%

6-[4-(2-aminoethoxy)-3-methyl-phenyl]-4,5-dihydro-3(2H)-pyridazinone

66722-57-4

1-(2,3-epoxypropoxy)-4-[2-(isopropoxy)-ethoxymethyl]-benzene

133154-47-9

6-[4-[2-[3-(4-(2-isopropoxyethoxy-methyl)phenoxy)-2-hydroxy-propylamino]ethoxy]-3-methyl-phenyl]-4,5-dihydro-3(2H)-pyridazinone

Conditions
ConditionsYield
16%

[[4-[[2-(1-Methylethoxy)ethoxy]methyl]phenoxy]methyl]oxirane Specification

The [[4-[[2-(1-Methylethoxy)ethoxy]methyl]phenoxy]methyl]oxirane, with the CAS registry number 66722-57-4, has the systematic name of 2-[(4-{[2-(propan-2-yloxy)ethoxy]methyl}phenoxy)methyl]oxirane. It belongs to the following product categories: Aromatics Compounds; Aromatics; Intermediates; Intermediates & Fine Chemicals; Pharmaceuticals. And the molecular formula of the chemical is C15H22O4.

The characteristics of [[4-[[2-(1-Methylethoxy)ethoxy]methyl]phenoxy]methyl]oxirane are as followings: (1)ACD/LogP: 2.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.02; (4)ACD/LogD (pH 7.4): 2.02; (5)ACD/BCF (pH 5.5): 20.04; (6)ACD/BCF (pH 7.4): 20.04; (7)ACD/KOC (pH 5.5): 297.51; (8)ACD/KOC (pH 7.4): 297.51; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 40.22 Å2; (13)Index of Refraction: 1.508; (14)Molar Refractivity: 73.3 cm3; (15)Molar Volume: 245.6 cm3; (16)Polarizability: 29.05×10-24cm3; (17)Surface Tension: 38.8 dyne/cm; (18)Density: 1.084 g/cm3; (19)Flash Point: 118.2 °C; (20)Enthalpy of Vaporization: 58.46 kJ/mol; (21)Boiling Point: 362.6 °C at 760 mmHg; (22)Vapour Pressure: 3.99E-05 mmHg at 25°C. 

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: CC(C)OCCOCc2ccc(OCC1CO1)cc2
(2)InChI: InChI=1/C15H22O4/c1-12(2)17-8-7-16-9-13-3-5-14(6-4-13)18-10-15-11-19-15/h3-6,12,15H,7-11H2,1-2H3
(3)InChIKey: RTXODTOQINKROX-UHFFFAOYAZ

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