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Name	1,2,4-Trimethoxybenzene	EINECS	205-219-7
CAS No.	135-77-3	Density	1.041 g/cm³
PSA	27.69000	LogP	1.71240
Solubility	Not miscible in water.	Melting Point	19 - 21oC
Formula	C₉H₁₂O₃	Boiling Point	247 °C at 760 mmHg
Molecular Weight	168.192	Flash Point	77.9 °C
Transport Information	N/A	Appearance	clear light yellow to yellow-brown liquid
Safety	23-24/25	Risk Codes	N/A
Molecular Structure		Hazard Symbols	Xi
Synonyms	Benzene,1,2,4-trimethoxy-;TMB 124;EPA Pesticide Chemical Code 040515;1,2,4-Trimethoxy Benzene;	Article Data	48

1,2,4-Trimethoxybenzene Synthetic route

: 613-03-6
1,2,4-triacetoxybenzene

: 77-78-1
dimethyl sulfate

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

Conditions

Conditions	Yield
Stage #1: 1,2,4-triacetoxybenzene With methanol; potassium hydroxide at 40℃; for 0.133333h; Inert atmosphere; Stage #2: dimethyl sulfate With potassium carbonate at 60℃; for 0.5h; pH=8.5; Reagent/catalyst; Inert atmosphere;	99.4%
With methanol; sodium hydroxide
Alkaline aq. solution;

: 533-73-3
1,2,4-Trihydroxybenzene

: 77-78-1
dimethyl sulfate

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

Conditions

Conditions	Yield
With sodium hydride In tetrahydrofuran at 20℃; for 12h;	99%
With sodium hydride In tetrahydrofuran; mineral oil at 0 - 20℃; for 16h; Inert atmosphere;	96%
With sodium hydroxide

: 21702-84-1
2,4-dibromoanisole

: 124-41-4
sodium methylate

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

Conditions

Conditions	Yield
With methanol; Methyl formate; copper(l) chloride at 115℃; for 2h; Autoclave; Green chemistry;	98%

: 2033-89-8
3,4-dimethoxyphenol

: 74-88-4
methyl iodide

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

Conditions

Conditions	Yield
Stage #1: 3,4-dimethoxyphenol With potassium carbonate In acetone at 40 - 45℃; for 1h; Inert atmosphere; Stage #2: methyl iodide In acetone for 7h; Reflux; Inert atmosphere;	97%
With n-butyllithium In tetrahydrofuran at 0℃;

: 2033-89-8
3,4-dimethoxyphenol

: 616-38-6
carbonic acid dimethyl ester

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

Conditions

Conditions	Yield
With magnesium oxide In N,N-dimethyl-formamide at 170℃; for 0.5h; Microwave irradiation; Green chemistry;	96%

: 18113-18-3
2,5-dimethoxyphenol

: 77-78-1
dimethyl sulfate

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

Conditions

Conditions	Yield
With potassium hydroxide In dimethyl sulfoxide	95%

: 2033-89-8
3,4-dimethoxyphenol

: 77-78-1
dimethyl sulfate

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

Conditions

Conditions	Yield
With potassium hydroxide for 1.5h; Heating;	90%

: 1-styryl-2,4,5-trimethoxybenzene

A: 612-94-2
2-phenylnaphthalene

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

Conditions

Conditions	Yield
With trifluoroacetic acid In water at 80℃; for 0.5h; Diels-Alder Cycloaddition;	A 90% B n/a

: 2,4,5-trimethoxybenzoic acid potassium salt

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

Conditions

Conditions	Yield
With trifluoroacetic acid; palladium(II) trifluoroacetate In dimethyl sulfoxide at 70℃;	55%
Stage #1: 2,4,5-trimethoxybenzoic acid potassium salt With palladium(II) trifluoroacetate In dimethyl sulfoxide at 80℃; for 0.5h; Stage #2: With trifluoroacetic acid In dimethyl sulfoxide at 70℃;	55%

: 576-15-8
N-acetylindole

: 83813-98-3
sodium 2,4,5-trimethoxybenzoate

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

B: 1235306-66-7
2-(2',4',5'-trimethoxyphenyl)-N-acetylindole

C: 1702-67-6
2,2',4,4',5,5'-hexamethoxybiphenyl

Conditions

Conditions	Yield
Stage #1: sodium 2,4,5-trimethoxybenzoate With palladium(II) trifluoroacetate In dimethyl sulfoxide at 80℃; for 0.5h; Inert atmosphere; Stage #2: N-acetylindole With dimethyl sulfoxide; propionic acid In 1,4-dioxane at 80℃; for 15h; Inert atmosphere;	A 51% B 13% C 11%

1,2,4-Trimethoxybenzene Chemical Properties

The molecular structure of 1,2,4-Trimethoxybenzene (CAS NO.135-77-3):

IUPAC Name: 1,2,4-Trimethoxybenzene
Molecular Weight: 168.18978 g/mol
Molecular Formula: C₉H₁₂O₃
Density: 1.041 g/cm³
Boiling Point: 247 °C at 760 mmHg
Flash Point: 77.9 °C
Index of Refraction: 1.485
Molar Refractivity: 46.28 cm³
Molar Volume: 161.4 cm³
Surface Tension: 29.8 dyne/cm
Enthalpy of Vaporization: 46.45 kJ/mol
Vapour Pressure: 0.0413 mmHg at 25 °C
XLogP3: 2.1
H-Bond Acceptor: 3
Rotatable Bond Count: 3
Exact Mass: 168.078644
MonoIsotopic Mass: 168.078644
Topological Polar Surface Area: 27.7
Heavy Atom Count: 12
Canonical SMILES: COC1=CC(=C(C=C1)OC)OC
InChI: InChI=1S/C9H12O3/c1-10-7-4-5-8(11-2)9(6-7)12-3/h4-6H,1-3H3
InChIKey: AGIQIOSHSMJYJP-UHFFFAOYSA-N
EINECS: 205-219-7
Product Categories: Aromatic Hydrocarbons (substituted) & Derivatives; Benzene derivates; Anisoles, Alkyloxy Compounds & Phenylacetates

1,2,4-Trimethoxybenzene Uses

1,2,4-Trimethoxybenzene (CAS NO.135-77-3) is used as pharmaceutical intermediates.

1,2,4-Trimethoxybenzene Safety Profile

Hazard Codes: Xi
Safety Statements: 23-24/25
S23:Do not breathe vapour.
S24/25:Avoid contact with skin and eyes.
WGK Germany: 3
RTECS: DC2770000
Hazard Note: Irritant
HS Code: 29093090

1,2,4-Trimethoxybenzene Specification

1,2,4-Trimethoxybenzene (CAS NO.135-77-3) is also named as AI3-20797 ; EPA Pesticide Chemical Code 040515 ; Benzene, 1,2,4-trimethoxy- ; 1,2,4-Trimethoxy Benzene . 1,2,4-Trimethoxybenzene (CAS NO.135-77-3) is clear light yellow to yellow-brown liquid.

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