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Cas Database

Name	2,4,5-Trimethoxybenzaldehyde	EINECS	224-713-3
CAS No.	4460-86-0	Density	1.133 g/cm³
PSA	44.76000	LogP	1.52490
Solubility	<0.1 g/100 mL at 22 °C in water	Melting Point	112-114 °C(lit.)
Formula	C₁₀H₁₂O₄	Boiling Point	334.7 °C at 760 mmHg
Molecular Weight	196.203	Flash Point	149 °C
Transport Information	N/A	Appearance	white to light beige fine crystalline powder
Safety	22-24/25-45-36/37/39-27-26	Risk Codes	36/37/38-34
Molecular Structure		Hazard Symbols	C
Synonyms	3,4,6-Trimethoxybenzaldehyde;Asaraldehyde;Asaronaldehyde;Asarylaldehyde;Gazarin;NSC 89299;	Article Data	58

2,4,5-Trimethoxybenzaldehyde Synthetic route

: 1535-67-7
difluoromethyl phenyl sulfide

: 135-77-3
1,2,4-trimethoxy-benzene

: 4460-86-0
asaraldehyde

Conditions

Conditions	Yield
Stage #1: difluoromethyl phenyl sulfide; 1,2,4-trimethoxy-benzene With tin(IV) chloride In dichloromethane at 20℃; for 2h; Inert atmosphere; Stage #2: With 1-hydroxy-3H-benz[d][1,2]iodoxole-1,3-dione In dichloromethane; water; dimethyl sulfoxide at 20℃; for 2h;	98%

: 30038-31-4
(2,4,5-trimethoxyphenyl)methanol

: 4460-86-0
asaraldehyde

Conditions

Conditions	Yield
With copper(l) iodide; TEMPOL; N,N'-dimethyl-N,N'-bis(2-pyridylmethyl)ethane-1,2-diamine In acetonitrile at 20℃; for 2h; Inert atmosphere;	97%
With tetrapropylammonium perruthennate; 4-methylmorpholine N-oxide In dichloromethane at 0℃; for 1.5h; Molecular sieve; Inert atmosphere;	96%
With tert.-butylhydroperoxide; eosin y In decane; acetonitrile at 25℃; for 36h; Inert atmosphere; Irradiation; Molecular sieve; Green chemistry; chemoselective reaction;	87%

: 2883-98-9
α-asarone

: 4460-86-0
asaraldehyde

Conditions

Conditions	Yield
With sodium periodate; osmium(VIII) oxide; N-benzyl-N,N,N-triethylammonium chloride In tetrahydrofuran; water microwave irradiation;	84%
With sodium periodate; osmium(VIII) oxide; N-benzyl-N,N,N-triethylammonium chloride In tetrahydrofuran; water Microwave irradiation;	82%

: 494-40-6, 2883-98-9, 5273-86-9
asarone

: 4460-86-0
asaraldehyde

Conditions

Conditions	Yield
With sodium periodate; osmium(VIII) oxide; N-benzyl-N,N,N-triethylammonium chloride In tetrahydrofuran; water at 100℃; Microwave irradiation;	83%
With chromium(VI) oxide
With potassium permanganate

: 5273-86-9
C12H16O3

: 4460-86-0
asaraldehyde

Conditions

Conditions	Yield
With sodium periodate; osmium(VIII) oxide; N-benzyl-N,N,N-triethylammonium chloride In tetrahydrofuran; water at 100℃; Microwave irradiation;	83%
With sodium periodate; osmium(VIII) oxide; N-benzyl-N,N,N-triethylammonium chloride In tetrahydrofuran; water for 0.0138889h; microwave irradiation;	82%
With dipyridinium dichromate; acetic acid In 1,4-dioxane for 0.333333h; Heating; Microwave irradiation;
With potassium permanganate; sodium hydrogencarbonate at 20℃;

: 135-77-3
1,2,4-trimethoxy-benzene

: 68-12-2, 33513-42-7
N,N-dimethyl-formamide

: 4460-86-0
asaraldehyde

Conditions

Conditions	Yield
With trichlorophosphate at 20℃; for 1h; Vilsmeier reaction;	81%
With trichlorophosphate at 0 - 80℃; for 3h; Vilsmeier-Haack Formylation; Inert atmosphere;	80%
With trichlorophosphate

: acetic acid acetoxy-(2,4,5-trimethoxy-phenyl)-methyl ester

: 4460-86-0
asaraldehyde

Conditions

Conditions	Yield
With ammonium acetate for 0.0125h; microwave irradiation;	77%

: 324067-40-5
C16H18N2O3

A: 4460-86-0
asaraldehyde

B: 1376268-31-3
4,5-bis(2,4,5-trimethoxyphenyl)-2-phenyl-2H-1,2,3-triazole

Conditions

Conditions	Yield
With copper(II) acetate monohydrate In toluene at 60℃; for 7h;	A n/a B 66%

: 877680-53-0
N-(chloromethyl)diformamide

: 135-77-3
1,2,4-trimethoxy-benzene

A: 4460-86-0
asaraldehyde

B: 14470-07-6
tris(2,4,5-trimethoxyphenyl)methane

Conditions

Conditions	Yield
With aluminum (III) chloride In chlorobenzene at 0 - 18℃; for 22h;	A 56% B 24%

: 17598-03-7
5-ethenyl-1,2,4-trimethoxybenzene

: 4460-86-0
asaraldehyde

Conditions

Conditions	Yield
With 1-hydroxy-pyrrolidine-2,5-dione; graphitic carbon nitride; oxygen In acetonitrile at 20℃; Inert atmosphere; Irradiation;	52%

2,4,5-Trimethoxybenzaldehyde Specification

1. Introduction of 2,4,5-Trimethoxy Benzaldehyde
2,4,5-Trimethoxy Benzaldehyde is pharmaceutical intermediates used for the preparation of asarone.

2. Properties of 2,4,5-Trimethoxy Benzaldehyde
Melting point: 112-114 °C
Index of Refraction: 1.524
Molar Refractivity: 53.04 cm³
Molar Volume: 173.1 cm³
Surface Tension: 35.4 dyne/cm
Density: 1.133 g/cm³
Flash Point: 149 °C
Enthalpy of Vaporization: 57.77 kJ/mol
Boiling Point: 334.7 °C at 760 mmHg
Vapour Pressure: 0.000125 mmHg at 25°C
Classification Code: Mutation data

3. Toxicity of 2,4,5-Trimethoxy Benzaldehyde

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
bird - wild	LD50	oral	422mg/kg (422mg/kg)		Archives of Environmental Contamination and Toxicology. Vol. 12, Pg. 355, 1983.

5. Safety Information of 2,4,5-Trimethoxy Benzaldehyde
Hazard Codes:C

Risk Statements:36/37/38-34
36/37/38:Irritating to eyes, respiratory system and skin
34:Causes burns
Safety Statements:22-24/25-45-36/37/39-27-26
22:Do not breathe dust
24/25:Avoid contact with skin and eyes
45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)
36/37/39:Wear suitable protective clothing, gloves and eye/face protection
27:Take off immediately all contaminated clothing
26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
WGK Germany:3
RTECS:CU8460000
Hazardous Substances Data:4460-86-0(Hazardous Substances Data)

6. Use of 2,4,5-Trimethoxy Benzaldehyde
2,4,5-Trimethoxy Benzaldehyd is used as a pharmaceutical intermediate mainly for the preparation of Asarone.

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