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2103-57-3

Basic Information
CAS No.: 2103-57-3
Name: 2,3,4-Trimethoxybenzaldehyde
Article Data: 48
Molecular Structure:
Molecular Structure of 2103-57-3 (2,3,4-Trimethoxybenzaldehyde)
Formula: C10H12O4
Molecular Weight: 196.203
Synonyms: Benzaldehyde, 2,3,4-trimethoxy-;AI3-36670;
EINECS: 218-271-0
Density: 1.133 g/cm3
Melting Point: 38-40 °C(lit.)
Boiling Point: 312 °C at 760 mmHg
Flash Point: 137.1 °C
Solubility: methanol: 0.1 g/mL, clear
Appearance: white to light yellow crystals or cryst. powder
Hazard Symbols: IrritantXi,CorrosiveC
Risk Codes: 36/37/38-34
Safety: 22-24/25-45-36/37/39-27-26
PSA: 44.76000
LogP: 1.52490
Synthetic route
2144-08-3

2,3,4-trihydroxybenzylaldehyde

74-88-4

methyl iodide

2103-57-3

2,3,4-trimethoxybenzaldehyde

Conditions
ConditionsYield
With potassium carbonate In acetone at 60℃; for 24h;97.2%
With potassium carbonate In acetone at 80℃; for 12h; Inert atmosphere; Schlenk technique;89%
With potassium carbonate In acetone
71989-96-3

2,3,4-trimethoxybenzylalcohol

2103-57-3

2,3,4-trimethoxybenzaldehyde

Conditions
ConditionsYield
With 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; [CuNi(-OAc)(μ-OH)(μ-OH2)(bpy)2](ClO4)2; dihydrogen peroxide In water at 70℃; for 2h;97%
With oxygen; Nafion polymer anchored ruthenium oxide pyrochlore composite In acetone at 20℃; under 760.051 Torr; for 7.5h;95%
With dihydrogen peroxide at 20 - 70℃; for 3.5h; Catalytic behavior;94%
50-00-0

formaldehyd

634-36-6

1,2,3-trimethoxybenzene

2103-57-3

2,3,4-trimethoxybenzaldehyde

Conditions
ConditionsYield
With potassium carbonate; magnesium chloride for 5h; Concentration; Reflux;82.9%

acetic acid acetoxy-(2,3,4-trimethoxy-phenyl)-methyl ester

2103-57-3

2,3,4-trimethoxybenzaldehyde

Conditions
ConditionsYield
β‐cyclodextrin In methanol; water at 60℃; for 8h; Product distribution;80%
121336-22-9

1,2,3-Trimethoxy-4-phenethyloxymethyl-benzene

A

60-12-8

2-phenylethanol

B

2103-57-3

2,3,4-trimethoxybenzaldehyde

Conditions
ConditionsYield
With 2,3-dicyano-5,6-dichloro-p-benzoquinone In dichloromethane; water at 20℃; for 0.5h;A 60%
B 75%
634-36-6

1,2,3-trimethoxybenzene

2103-57-3

2,3,4-trimethoxybenzaldehyde

Conditions
ConditionsYield
In N,N-dimethyl-formamide at 70 - 80℃; for 10h;74%
634-36-6

1,2,3-trimethoxybenzene

1535-67-7

difluoromethyl phenyl sulfide

2103-57-3

2,3,4-trimethoxybenzaldehyde

Conditions
ConditionsYield
Stage #1: 1,2,3-trimethoxybenzene; difluoromethyl phenyl sulfide 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 water; dimethyl sulfoxide at 20℃; for 2h;
72%

2,3,4-trimethoxy-benzaldehyde oxime

2103-57-3

2,3,4-trimethoxybenzaldehyde

Conditions
ConditionsYield
With zeolyte H-Y supported KMnO4 In 1,2-dichloro-ethane for 0.5h; Ambient temperature;68%
90704-71-5

2,3,4-trimethoxy-N,N-dimethylbenzylamine

2103-57-3

2,3,4-trimethoxybenzaldehyde

Conditions
ConditionsYield
Stage #1: N,N-dimethyl-2,3,4-trimethoxybenzylamine With iodine; sodium carbonate In 1,4-dioxane at 20℃; for 12h;
Stage #2: With water In 1,4-dioxane for 3h;
64%
33257-15-7

1,2,3-trimethoxy-4-methylbenzene

Mangantriacetat

A

2,3,4-trimethoxybenzyl aceteate

B

2103-57-3

2,3,4-trimethoxybenzaldehyde

Conditions
ConditionsYield
With *5H2O; lithium chloride In acetic acid at 100℃; for 3.4h;A 34%
B 26%
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Standards and Recommendations

Assay: 99.0%Min.
Sulfated Ash: 0.02%Max
Heavy Metals: 15ppm Max
Moisture: 0.5%Max

Specification

The 2,3,4-Trimethoxybenzaldehyde, with the CAS registry number 2103-57-3,is also known as Benzaldehyde,2,3,4-trimethoxy-. It belongs to the product categories of (intermediate of trimetazidine.);Aldehydes;C10 to C21;Carbonyl Compounds. This chemical's molecular formula is C10H12O4 and molecular weight is196.20. Its EINECS number is 218-271-0.What's more,Its systematic name is 2,3,4-Trimethoxybenzaldehyde.It is a white to light yellow crystals or cryst. powder.And it is used as chemical intermediate to synthesis target molecules of pharmaceuticals, pesticides, stabilizer, antioxidant, colorants, perfumes, photoinitiators, and other organic compounds.

Physical properties about 2,6-Diaminotoluene are:
(1)ACD/LogP:  1.26; (2)# of Rule of 5 Violations:  0; (3)ACD/LogD (pH 5.5):  1.26; (4)ACD/LogD (pH 7.4): 1.26; (5)ACD/BCF (pH 5.5):  5.34; (6)ACD/BCF (pH 7.4):  5.34; (7)ACD/KOC (pH 5.5):  115.49; (8)ACD/KOC (pH 7.4):  115.49; (9)#H bond acceptors:  4; (10)#H bond donors:  0; (11)#Freely Rotating Bonds:  4; (12)Index of Refraction:  1.525; (13)Molar Refractivity:  53.041 cm3; (14)Molar Volume:  173.106 cm3; (15) Surface Tension:  35.431999206543 dyne/cm; (16)Density:  1.133 g/cm3; (17)Flash Point:  137.116 °C; (18)Enthalpy of Vaporization:  55.293 kJ/mol; (19) Boiling Point:  311.969 °C at 760 mmHg; (20)Vapour Pressure:  0.00100000004749745 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES:O=Cc1c(OC)c(OC)c(OC)cc1;
(2)Std. InChI:InChI=1S/C10H12O4/c1-12-8-5-4-7(6-11)9(13-2)10(8)14-3/h4-6H,1-3H3;
(3)Std. InChIKey:UCTUXUGXIFRVGX-UHFFFAOYSA-N.

Safety Information of 2,3,4-Trimethoxybenzaldehyde:
The 2,3,4-Trimethoxybenzaldehyde is irritating to eyes, respiratory system and skin. And it can causes burns. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.),and take off immediately all contaminated clothing .When you use it ,wear suitable protective clothing, gloves and eye/face protection,avoid contact with skin and eyes,and do not breathe dust. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.