CAS No.16150-44-0,CROMOLYN SODIUM RELATED COMPOUND A (25 MG) (1,3-BIS-(2-ACETYL-3-HYDROXYPHENOXY)-2-PROPANOL) (AS) Suppliers

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Basic Information

Molecular Structure:
CAS No.:	16150-44-0
Name:	CROMOLYN SODIUM RELATED COMPOUND A (25 MG) (1,3-BIS-(2-ACETYL-3-HYDROXYPHENOXY)-2-PROPANOL) (AS)
Article Data:	9

Formula:	C₁₉H₂₀O₇
Molecular Weight:	360.364
Synonyms:	Acetophenone,2',2'''-[(2-hydroxytrimethylene)dioxy]bis[6'-hydroxy- (8CI);1,3-Bis(2-acetyl-3-hydroxyphenoxy)-2-hydroxypropane;1,3-Bis(2-acetyl-3-hydroxyphenoxy)-2-propanol;
EINECS:	240-302-1
Density:	1.321g/cm³
Melting Point:	168℃ (chloroform hexane )
Boiling Point:	574.4 °C at 760 mmHg
Flash Point:	205.3 °C
PSA:	113.29000
LogP:	2.32170

Synthetic route

: 699-83-2
2,6-dihydroxylacetophenone

: 16130-28-2
1-(2-acetyl-3-hydroxyphenoxy)-2,3-epoxypropane

: 16150-44-0
(1-{2-[3-(2-acetyl-3-hydroxy-phenoxy)-2-hydroxypropoxy]-6-hydroxy-phenyl}-ethanone)

Conditions

Conditions	Yield
With sodium hydroxide In ethanol for 24h; Heating;	75%

: 15826-37-6
disodium cromoglicate

: 16150-44-0
(1-{2-[3-(2-acetyl-3-hydroxy-phenoxy)-2-hydroxypropoxy]-6-hydroxy-phenyl}-ethanone)

Conditions

Conditions	Yield
With sodium hydroxide for 0.333333h; Heating;	59.7%
With potassium hydroxide In water for 2h; Reflux;

: 699-83-2
2,6-dihydroxylacetophenone

: 106-89-8
epichlorohydrin

: 16150-44-0
(1-{2-[3-(2-acetyl-3-hydroxy-phenoxy)-2-hydroxypropoxy]-6-hydroxy-phenyl}-ethanone)

Conditions

Conditions	Yield
With potassium hydroxide In water; isopropyl alcohol for 48h; Heating;	37%
With potassium hydroxide
With potassium hydroxide In water; isopropyl alcohol for 48h; Heating;

: 699-83-2
2,6-dihydroxylacetophenone

: 96-21-9
1,3-dibromo-2-hydroxypropane

: 16150-44-0
(1-{2-[3-(2-acetyl-3-hydroxy-phenoxy)-2-hydroxypropoxy]-6-hydroxy-phenyl}-ethanone)

Conditions

Conditions	Yield
With potassium carbonate

: 699-83-2
2,6-dihydroxylacetophenone

: 16150-44-0
(1-{2-[3-(2-acetyl-3-hydroxy-phenoxy)-2-hydroxypropoxy]-6-hydroxy-phenyl}-ethanone)

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 24 percent / KOH / H2O / 48 h / Ambient temperature 2: 75 percent / NaOH / ethanol / 24 h / Heating View Scheme
Multi-step reaction with 3 steps 1: 33 percent / KOH / H2O / 48 h / Ambient temperature 2: 75 percent / KOH / H2O / 2 h / Ambient temperature 3: 75 percent / NaOH / ethanol / 24 h / Heating View Scheme

: 16130-17-9
1-(2-acetyl-3-hydroxyphenoxy)-3-chloro-2-propanol

: 16150-44-0
(1-{2-[3-(2-acetyl-3-hydroxy-phenoxy)-2-hydroxypropoxy]-6-hydroxy-phenyl}-ethanone)

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 75 percent / KOH / H2O / 2 h / Ambient temperature 2: 75 percent / NaOH / ethanol / 24 h / Heating View Scheme

: 16150-44-0
(1-{2-[3-(2-acetyl-3-hydroxy-phenoxy)-2-hydroxypropoxy]-6-hydroxy-phenyl}-ethanone)

: 591-31-1
3-methoxy-benzaldehyde

: 146138-43-4
(E)-1-[2-Hydroxy-6-(2-hydroxy-3-{3-hydroxy-2-[(E)-3-(3-methoxy-phenyl)-acryloyl]-phenoxy}-propoxy)-phenyl]-3-(3-methoxy-phenyl)-propenone

Conditions

Conditions	Yield
With potassium hydroxide In methanol for 48h; Ambient temperature;	84%

: 16150-44-0
(1-{2-[3-(2-acetyl-3-hydroxy-phenoxy)-2-hydroxypropoxy]-6-hydroxy-phenyl}-ethanone)

: 100-52-7
benzaldehyde

: 146138-42-3
(E)-1-[2-Hydroxy-6-(2-hydroxy-3-{3-hydroxy-2-[(E)-(3-phenyl-acryloyl)]-phenoxy}-propoxy)-phenyl]-3-phenyl-propenone

Conditions

Conditions	Yield
With potassium hydroxide In methanol for 48h; Ambient temperature;	81%

: 16150-44-0
(1-{2-[3-(2-acetyl-3-hydroxy-phenoxy)-2-hydroxypropoxy]-6-hydroxy-phenyl}-ethanone)

: 123-11-5
4-methoxy-benzaldehyde

: 146138-44-5
(E)-1-[2-Hydroxy-6-(2-hydroxy-3-{3-hydroxy-2-[(E)-3-(4-methoxy-phenyl)-acryloyl]-phenoxy}-propoxy)-phenyl]-3-(4-methoxy-phenyl)-propenone

Conditions

Conditions	Yield
With potassium hydroxide In methanol for 48h; Ambient temperature;	78%

: 16150-44-0
(1-{2-[3-(2-acetyl-3-hydroxy-phenoxy)-2-hydroxypropoxy]-6-hydroxy-phenyl}-ethanone)

: 105-36-2
ethyl bromoacetate

: 112489-28-8
1,3-bis(2-acetyl-3-carbethoxymethoxyphenoxy)-2-propanol

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide for 3h; Ambient temperature;	75%

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Specification

The Ethanone,1,1'-[(2-hydroxy-1,3-propanediyl)bis[oxy(6-hydroxy-2,1-phenylene)]]bis-, with CAS registry number 16150-44-0, has the systematic name of 1,1'-{(2-hydroxypropane-1,3-diyl)bis[oxy(6-hydroxybenzene-2,1-diyl)]}diethanone. And the chemical formula of this chemical is C₁₉H₂₀O₇. What's more, its EINECS is 240-302-1.

Physical properties of Ethanone,1,1'-[(2-hydroxy-1,3-propanediyl)bis[oxy(6-hydroxy-2,1-phenylene)]]bis-: (1)ACD/LogP: 3.40; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.4; (4)ACD/LogD (pH 7.4): 3.39; (5)ACD/BCF (pH 5.5): 224.59; (6)ACD/BCF (pH 7.4): 222.54; (7)ACD/KOC (pH 5.5): 1677.71; (8)ACD/KOC (pH 7.4): 1662.37; (9)#H bond acceptors: 7; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 11; (12)Polar Surface Area: 80.29 Å²; (13)Index of Refraction: 1.603; (14)Molar Refractivity: 93.75 cm³; (15)Molar Volume: 272.6 cm³; (16)Polarizability: 37.16×10^-24cm³; (17)Surface Tension: 57.2 dyne/cm; (18)Density: 1.321 g/cm³; (19)Flash Point: 205.3 °C; (20)Enthalpy of Vaporization: 90.53 kJ/mol; (21)Boiling Point: 574.4 °C at 760 mmHg; (22)Vapour Pressure: 4.92E-14 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c2c(O)cccc2OCC(O)COc1cccc(O)c1C(=O)C)C
(2)InChI: InChI=1/C19H20O7/c1-11(20)18-14(23)5-3-7-16(18)25-9-13(22)10-26-17-8-4-6-15(24)19(17)12(2)21/h3-8,13,22-24H,9-10H2,1-2H3
(3)InChIKey: RUOPAUDVYRHXDB-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C19H20O7/c1-11(20)18-14(23)5-3-7-16(18)25-9-13(22)10-26-17-8-4-6-15(24)19(17)12(2)21/h3-8,13,22-24H,9-10H2,1-2H3
(5)Std. InChIKey: RUOPAUDVYRHXDB-UHFFFAOYSA-N