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

Name
[[4-[[2-(1-Methylethoxy)ethoxy]methyl]phenoxy]methyl]oxirane
EINECS 613-981-0
CAS No. 66722-57-4
Article Data3
CAS DataBase
Density 1.084 g/cm³
Solubility
Melting Point
Formula C₁₅H₂₂O₄
Boiling Point 362.6 °C at 760 mmHg
Molecular Weight 266.337
Flash Point 118.2 °C
Transport Information
Appearance pale yellow oil
Safety
Risk Codes
Molecular Structure
Hazard Symbols
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;
PSA 40.22000
LogP 2.40580

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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
	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

Conditions	Yield
	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

Conditions	Yield
	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

Conditions	Yield
	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

Conditions	Yield
	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

Conditions	Yield
	16%

: 133177-69-2
6-[4-(3-amino-propoxy)-3-chloro-phenyl]-4,5-dihydro-2H-pyridazin-3-one

: 66722-57-4
1-(2,3-epoxypropoxy)-4-[2-(isopropoxy)-ethoxymethyl]-benzene

: 133154-54-8
6-[4-[3-[3-(4-(2-isopropoxyethoxy-methyl)phenoxy)-2-hydroxy-propylamino]propoxy]-3-chloro-phenyl]-4,5-dihydro-3(2H)-pyridazinone

Conditions

Conditions	Yield
	15%

: 133155-42-7
6-[1-(2-aminoethyl)benzimidazol-5-yl]-4,5-dihydro-3(2H)pyridazinone

: 66722-57-4
1-(2,3-epoxypropoxy)-4-[2-(isopropoxy)-ethoxymethyl]-benzene

: 6-[1-[2-[3-(4-(2-Isopropoxyethoxy-methyl)phenoxy)-2-hydroxypropylamino]ethyl]benzimidazol-5-yl]-4,5-dihydro-3(2H)-pyridazinone-dihydrochloride

Conditions

Conditions	Yield
	13%

: 133155-59-6
6-[1-(2-amino-2,2-dimethylethyl)benzimidazol-5-yl]-4,5-dihydro-3(2H)-pyridazinone

: 66722-57-4
1-(2,3-epoxypropoxy)-4-[2-(isopropoxy)-ethoxymethyl]-benzene

: 133155-00-7
6-[1-[2-[3-(4-(2-Isopropoxyethoxy-methyl)phenoxy)-2-hydroxypropylamino]-2,2-dimethyl-ethyl]benzimidazol-5-yl]-4,5-dihydro-3(2H)-pyridazinone

Conditions

Conditions	Yield
	9%

: 66722-57-4
1-(2,3-epoxypropoxy)-4-[2-(isopropoxy)-ethoxymethyl]-benzene

: 333316-11-3
1-(p-2-isopropoxyethoxymethylphenoxy)-3-amino-propan-2-ol

Conditions

Conditions	Yield
With ammonium hydroxide In methanol at 75℃;

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

: 66722-57-4
1-(2,3-epoxypropoxy)-4-[2-(isopropoxy)-ethoxymethyl]-benzene

: 133154-45-7
6-[4-[2-[3-(4-(2-isopropoxyethoxymethyl)phenoxy)-2-hydroxypropylamino]ethoxy]phenyl]-3(2H)-pyridazinone

: 66722-64-3
1-(p-2-isopropoxyethoxymethylphenoxy)-3-isopropylideneamino-propan-2-ol

: 66722-57-4
1-(2,3-epoxypropoxy)-4-[2-(isopropoxy)-ethoxymethyl]-benzene

A: 105878-43-1
bisoprolol Fumarate

B: 333316-11-3
1-(p-2-isopropoxyethoxymethylphenoxy)-3-amino-propan-2-ol

Conditions

Conditions	Yield
With ammonia

...Expand

: 75-31-0
isopropylamine

: 66722-57-4
1-(2,3-epoxypropoxy)-4-[2-(isopropoxy)-ethoxymethyl]-benzene

: bisoprolol

Conditions

Conditions	Yield
Stage #1: 1-(2,3-epoxypropoxy)-4-[2-(isopropoxy)-ethoxymethyl]-benzene With sodium tetrahydroborate In methanol at 15 - 20℃; for 1h; Stage #2: isopropylamine In methanol at 15℃; for 7h; Heating / reflux;

[[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

Product Name

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

Synthetic route

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

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