CAS No.28281-49-4,3,4-(METHYLENEDIOXY)PROPIOPHENONE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	28281-49-4
Name:	3,4-(METHYLENEDIOXY)PROPIOPHENONE
Article Data:	40

Formula:	C₁₀H₁₀O₃
Molecular Weight:	178.188
Synonyms:	Propiophenone,3',4'-(methylenedioxy)- (6CI,7CI,8CI);1-(Benz[d][1,3]dioxol-5-yl)propan-1-one;3,4-Methylenedioxyphenyl ethyl ketone;3,4-Methylenedioxypropiophenone;5-Propanoyl-1,3-benzodioxole;NSC 29484;
EINECS:	248-937-6
Density:	1.198 g/cm³
Melting Point:	34-36 °C
Boiling Point:	306.4 °C at 760 mmHg
Flash Point:	130.1 °C
Hazard Symbols:	Xn
Risk Codes:	33
Safety:	26-37
PSA:	35.53000
LogP:	2.00800

Synthetic route

: 120-58-1
isosafrole

A: 120-57-0
piperonal

B: 28281-49-4
3,4-methylenedioxypropiophenone

Conditions

Conditions	Yield
With NaY-supported PhI(OAc)2 at 130℃; for 0.0833333h; Solvent; Concentration; Temperature; Time; Microwave irradiation;	A 91% B 9%

: 6890-30-8
1-piperonyl-1-propanol

: 28281-49-4
3,4-methylenedioxypropiophenone

Conditions

Conditions	Yield
With pyridinium chlorochromate In dichloromethane at 20℃; for 16h;	89%
With pyridinium chlorochromate In dichloromethane at 20℃; for 16h;	89%
With chromium(VI) oxide; sulfuric acid In water; acetone at 0 - 20℃; for 3h;	64.06%
With potassium dichromate
With pyridinium chlorochromate In dichloromethane at 20℃; for 6h;

: 274-09-9
Methylenedioxybenzene

: 123-62-6
propionic acid anhydride

: 28281-49-4
3,4-methylenedioxypropiophenone

Conditions

Conditions	Yield
With methanesulfonic acid at 0 - 5℃; for 4h; Concentration;	89%
perchloric acid at 0 - 20℃; for 3h;	34.5 g
With aluminum (III) chloride; carbonic acid dimethyl ester at 20℃; Friedel-Crafts Acylation;
With trifluoroacetic acid In dichloromethane at 0 - 20℃; for 24h;

: 120-57-0
piperonal

: C2H5BrMg*C2H6OZn*LiCl

: 28281-49-4
3,4-methylenedioxypropiophenone

Conditions

Conditions	Yield
With pivalaldehyde In tetrahydrofuran at 0 - 20℃; for 2h; Inert atmosphere;	82%

: 120-57-0
piperonal

: 557-20-0
diethylzinc

: 28281-49-4
3,4-methylenedioxypropiophenone

Conditions

Conditions	Yield
With pivalaldehyde; lithium chloride; magnesium bromide In tetrahydrofuran; toluene at 0 - 20℃; for 2h; Inert atmosphere;	80%

: 57961-85-0
2-Bromo-1-<3,4-(methylenedioxy)phenyl>-1-propanol

: 28281-49-4
3,4-methylenedioxypropiophenone

Conditions

Conditions	Yield
With potassium carbonate; palladium diacetate; tris-(o-tolyl)phosphine In benzene at 80℃; for 3h;	75%
With potassium carbonate; palladium diacetate; tris-(o-tolyl)phosphine In benzene at 100℃; for 5h;	75%

: 94-58-6
dihydrosafrole

: 28281-49-4
3,4-methylenedioxypropiophenone

Conditions

Conditions	Yield
With formic acid; water; 2,3-dicyano-5,6-dichloro-p-benzoquinone In 1,4-dioxane at 110 - 120℃; for 0.266667h; microwave irradiation;	73%

: 925-90-6
ethylmagnesium bromide

: 4421-09-4
piperonylonitrile

: 28281-49-4
3,4-methylenedioxypropiophenone

Conditions

Conditions	Yield
Stage #1: ethylmagnesium bromide; piperonylonitrile In tetrahydrofuran at 20℃; Cooling with ice; Stage #2: With sulfuric acid; water In tetrahydrofuran Cooling with ice;	73%

: 4043-71-4
isosafrole

A: 4676-39-5
1-(1,3-benzodioxol-5-yl)-2-propanone

B: 28281-49-4
3,4-methylenedioxypropiophenone

Conditions

Conditions	Yield
With oxygen; copper(l) chloride; palladium dichloride In water; N,N-dimethyl-formamide at 50℃; for 10h;	A 18% B 66%
With oxygen; copper(l) chloride; palladium dichloride In water; N,N-dimethyl-formamide at 50℃; for 10h; Product distribution; Reagents;	A 60% B 18%

: 5208-87-7
1'-hydroxysafrole

: 28281-49-4
3,4-methylenedioxypropiophenone

Conditions

Conditions	Yield
With potassium tert-butylate In tetrahydrofuran at 20℃; Schlenk technique; Inert atmosphere;	65%

Raw Materials

7451-98-1

10026-13-8

64-19-7

79-03-8

3162-29-6

6890-30-8

120-58-1

94-58-6

Downstream Products

7451-98-1

1835-04-7

52190-28-0

94-58-6

533-31-3

Total:94 Page 1 of 3 1 2 3 Next>>

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Specification

The 1-Propanone,1-(1,3-benzodioxol-5-yl)- is an organic compound with the formula C₁₀H₁₀O₃. The IUPAC name of this chemical is 1-(1,3-benzodioxol-5-yl)propan-1-one. With the CAS registry number 28281-49-4, it is also named as 3',4'-Methylenedioxypropiophenone. The product's categories are Adehydes, Acetals & Ketones. Besides, it should be stored in a closed cool and dry place.

Physical properties about 1-Propanone,1-(1,3-benzodioxol-5-yl)- are: (1)ACD/LogP: 2.31; (2)ACD/LogD (pH 5.5): 2.31; (3)ACD/LogD (pH 7.4): 2.31; (4)ACD/BCF (pH 5.5): 33.43; (5)ACD/BCF (pH 7.4): 33.43; (6)ACD/KOC (pH 5.5): 429.1; (7)ACD/KOC (pH 7.4): 429.1; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 35.53 Å²; (11)Index of Refraction: 1.546; (12)Molar Refractivity: 47.07 cm³; (13)Molar Volume: 148.6 cm³; (14)Polarizability: 18.66×10^-24cm³; (15)Surface Tension: 46.2 dyne/cm; (16)Density: 1.198 g/cm³; (17)Flash Point: 130.1 °C; (18)Enthalpy of Vaporization: 54.7 kJ/mol; (19)Boiling Point: 306.4 °C at 760 mmHg; (20)Vapour Pressure: 0.000771 mmHg at 25°C.

Preparation: this chemical can be prepared by benzo[1,3]dioxole and propaionyl chloride. This reaction will need reagent SnCl₄ and solvent CH₂Cl₂. The reaction time is 60 min with reaction temperature of 20 °C. The yield is about 58%.

Uses of 1-Propanone,1-(1,3-benzodioxol-5-yl)-: it can be used to produce 5-(1-methoxy-propyl)-benzo[1,3]dioxole at temperature of 20 °C. It will need reagent NaBH₄ with reaction time of 30 min. The yield is about 81%.

When you are using this chemical, please be cautious about it as the following:
This chemical is danger of cumulative effects. When you are using it, wear suitable gloves. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccc2OCOc2c1)CC
(2)InChI: InChI=1/C10H10O3/c1-2-8(11)7-3-4-9-10(5-7)13-6-12-9/h3-5H,2,6H2,1H3
(3)InChIKey: RVBJGSPBFIUTTR-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C10H10O3/c1-2-8(11)7-3-4-9-10(5-7)13-6-12-9/h3-5H,2,6H2,1H3
(5)Std. InChIKey: RVBJGSPBFIUTTR-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	oral	2150mg/kg (2150mg/kg)		Pharmaceutical Chemistry Journal Vol. 21, Pg. 341, 1987.

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