CAS No.93-02-7,Benzaldehyde,2,5-dimethoxy- Suppliers

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Basic Information

Molecular Structure:
CAS No.:	93-02-7
Name:	Benzaldehyde,2,5-dimethoxy-
Article Data:	109
Cas Database

Formula:	C₉H₁₀O₃
Molecular Weight:	166.177
Synonyms:	NSC 6315;Benzaldehyde, 2,5-dimethoxy-;
EINECS:	202-211-5
Density:	1.114 g/cm³
Melting Point:	46-48 °C(lit.)
Boiling Point:	283.842 °C at 760 mmHg
Flash Point:	120.644 °C
Solubility:	Soluble in chloroform and methanol. Slightly soluble in water.
Appearance:	yellow crystalline solid
Hazard Symbols:	Xi
Risk Codes:	36/37/38-43
Safety:	26-36/37/39-24/25
Transport Information:	N/A
PSA:	35.53000
LogP:	1.51630

Synthetic route

: 33524-31-1
2,5-dimethoxybenzyl alcohol

: 93-02-7
2,5-dimethoxybenzaldehyde

Conditions

Conditions	Yield
With potassium osmate(VI) dihydrate; potassium carbonate; potassium hexacyanoferrate(III) In water; acetonitrile at 60℃; for 0.75h; chemoselective reaction;	100%
With air; potassium carbonate In toluene at 20℃; for 8h;	99%
With aluminium trichloride; 1-benzyl-4-aza-1-azoniabicyclo[2.2.2]octane dichromate for 0.0166667h; Oxidation;	96%

: 55669-73-3
1,1-diacetoxy-1-(2,5-dimethoxyphenyl)methane

: 93-02-7
2,5-dimethoxybenzaldehyde

Conditions

Conditions	Yield
With [NO(1+)18-crown-6H(NO3)2(1-)]; silica gel In dichloromethane at 20℃; for 0.0833333h;	100%
With bismuth(III) chloride In chloroform for 0.166667h; deprotection; Heating;	99%
With aluminium trichloride In acetonitrile for 0.05h; Deacetylation; Heating;	99%

: 4885-02-3
Dichloromethyl methyl ether

: 150-78-7
1,4-dimethoxybezene

: 93-02-7
2,5-dimethoxybenzaldehyde

Conditions

Conditions	Yield
With titanium tetrachloride In dichloromethane at 0℃;	100%
With titanium tetrachloride In dichloromethane at -5 - 20℃; for 1.5h; Reagent/catalyst; Temperature; Inert atmosphere;	97.6%
With titanium tetrachloride In dichloromethane at 20℃; for 0.25h;

: 111-87-5
octanol

: 33524-31-1
2,5-dimethoxybenzyl alcohol

A: 124-13-0
Octanal

B: 93-02-7
2,5-dimethoxybenzaldehyde

Conditions

Conditions	Yield
With air; potassium carbonate at 20℃; for 16h;	A 2% B 99%

...Expand

: 98-85-1, 13323-81-4
1-Phenylethanol

: 33524-31-1
2,5-dimethoxybenzyl alcohol

A: 93-02-7
2,5-dimethoxybenzaldehyde

B: 98-86-2
acetophenone

Conditions

Conditions	Yield
With air; potassium carbonate at 20℃; for 8h;	A 99% B 10%

...Expand

: 2,5-dimethoxybenzaldehyde semicarbazone

: 93-02-7
2,5-dimethoxybenzaldehyde

Conditions

Conditions	Yield
With aluminium trichloride; 1-benzyl-4-aza-1-azoniabicyclo[2.2.2]octane dichromate at 20℃; for 0.0108333h;	96%

: 121336-24-1
1,4-Dimethoxy-2-phenethyloxymethyl-benzene

A: 60-12-8
2-phenylethanol

B: 93-02-7
2,5-dimethoxybenzaldehyde

Conditions

Conditions	Yield
With 2,3-dicyano-5,6-dichloro-p-benzoquinone In dichloromethane; water at 20℃; for 2.5h;	A 95% B 16%

: (2,5-dimethoxy-benzyloxy)-trimethyl-silane

: 93-02-7
2,5-dimethoxybenzaldehyde

Conditions

Conditions	Yield
With aluminium trichloride; tetramethylammonium chlorochromate In acetonitrile for 1.08333h; Heating;	95%
With bismuth(III) chloride; benzyltriphenylphosphonium peroxymonosulfate In dichloromethane for 0.0583333h; microwave irradiation;	80%
With bismuth(III) chloride; benzyltriphenylphosphonium peroxymonosulfate In acetonitrile for 0.5h; Heating;	75%
With benzyltriphenylphosphonium chlorate; aluminium trichloride In acetonitrile for 8h; Heating;	75%
With aluminium trichloride; benzyltriphenylphosphonium chlorochromate In acetonitrile for 0.5h; Heating;	75%

: 67184-41-2, 34967-19-6
2,5‐dimethoxybenzaldoxime

: 93-02-7
2,5-dimethoxybenzaldehyde

Conditions

Conditions	Yield
With 2-iodoxybenzoic acid; β‐cyclodextrin In water; acetone at 20℃; for 12h;	91%
With iodobenzene; β‐cyclodextrin; potassium bromide In water; acetone at 20℃; for 12h;	90%
With N-Bromosuccinimide; β‐cyclodextrin In water; acetone at 20℃; for 0.333333h;	80%

: 137709-38-7
2-(2,5-dimethoxyphenyl)-1,3-dithiane

: 93-02-7
2,5-dimethoxybenzaldehyde

Conditions

Conditions	Yield
With 1,3,5-trichloro-2,4,6-triazine; dimethyl sulfoxide In dichloromethane at 20℃; for 1h;	90%

Raw Materials

55669-73-3

4885-02-3

137709-38-7

98-85-1

74-88-4

74327-86-9

90-02-8

150-78-7

Downstream Products

451-13-8

Total:187 Page 1 of 5 1 2 3 4 5 Next>>

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Specification

The 2,5-Dimethoxybenzaldehyde, with the CAS registry number 93-02-7 and EINECS registry number 202-211-5, is a kind of yellow crystalline solid. It is sensitive to air, and belongs to the following product categories: Fine chemical & Intermediates; Building blocks; Benzaldehyde; Adehydes, Acetals & Ketones; Anisoles, Alkyloxy Compounds & Phenylacetates; Aldehydes; C9; Carbonyl Compounds. And the molecular formula of this chemical is C₉H₁₀O₃.

The physical properties of 2,5-Dimethoxybenzaldehyde are as following: (1)ACD/LogP: 1.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.856; (4)ACD/LogD (pH 7.4): 1.856; (5)ACD/BCF (pH 5.5): 15.161; (6)ACD/BCF (pH 7.4): 15.161; (7)ACD/KOC (pH 5.5): 243.662; (8)ACD/KOC (pH 7.4): 243.662; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 35.53 Å²; (13)Index of Refraction: 1.534; (14)Molar Refractivity: 46.363 cm³; (15)Molar Volume: 149.104 cm³; (16)Polarizability: 18.38×10^-24cm³; (17)Surface Tension: 36.175 dyne/cm; (18)Density: 1.114 g/cm³; (19)Flash Point: 120.644 °C; (20)Enthalpy of Vaporization: 52.279 kJ/mol; (21)Boiling Point: 283.842 °C at 760 mmHg; (22)Vapour Pressure: 0.003 mmHg at 25°C.

Preparation of 2,5-Dimethoxybenzaldehyde: It is often synthesized from 2-methyl-4-methoxyphenol by clandestine chemists. One of its uses is the production of 2,5-dimethoxyphenethylamine also known as 2C-H. 2C-H is used to produce many other psychoactive drugs, such as 2C-B, 2C-I and 2C-C. And it is usually used as organic intermediate.

You should be cautious while dealing with this chemical. It irritates eyes, respiratory system and skin, and may cause sensitization by skin contact. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice; Avoid contact with skin and eyes.

You can still convert the following datas into molecular structure:
(1)SMILES: COc1ccc(c(c1)C=O)OC
(2)InChI: InChI=1/C9H10O3/c1-11-8-3-4-9(12-2)7(5-8)6-10/h3-6H,1-2H3
(3)InChIKey: AFUKNJHPZAVHGQ-UHFFFAOYAN

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	1600mg/kg (1600mg/kg)	BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) BEHAVIORAL: TREMOR BEHAVIORAL: MUSCLE WEAKNESS	National Technical Information Service. Vol. OTS0533614,
mouse	LD50	oral	1600mg/kg (1600mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: EXCITEMENT BEHAVIORAL: MUSCLE WEAKNESS	National Technical Information Service. Vol. OTS0533614,
rat	LD50	intraperitoneal	800mg/kg (800mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: MUSCLE WEAKNESS LUNGS, THORAX, OR RESPIRATION: DYSPNEA	National Technical Information Service. Vol. OTS0533614,
rat	LD50	oral	> 3200mg/kg (3200mg/kg)	BEHAVIORAL: MUSCLE WEAKNESS VASCULAR: REGIONAL OR GENERAL ARTERIOLAR OR VENOUS DILATION SKIN AND APPENDAGES (SKIN): HAIR: OTHER	National Technical Information Service. Vol. OTS0533614,

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