Benzene, 4-methoxy-1,2-dimethyl- supplier

Name
3,4-DIMETHYLANISOLE
EINECS 225-142-2
CAS No. 4685-47-6
Article Data18
CAS DataBase
Density 0.974 g/mL at 25 °C(lit.)
Solubility
Melting Point
Formula C₉H₁₂O
Boiling Point 203.1 °C at 760 mmHg
Molecular Weight 136.194
Flash Point 75.6 °C
Transport Information 1993
Appearance clear colourless liquid
Safety 24/25
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Anisole,3,4-dimethyl- (6CI,7CI,8CI);1,2-Dimethyl-4-methoxybenzene;1-Methoxy-3,4-dimethylbenzene;2-Methyl-4-methoxytoluene;3,4-Dimethylanisole;3,4-Dimethylphenol methyl ether;4-Methoxy-1,2-dimethylbenzene;4-Methoxy-o-xylene;
PSA 9.23000
LogP 2.31200

Synthetic route

: 95-65-8
3,4-Dimethylphenol

: 616-38-6
carbonic acid dimethyl ester

: 4685-47-6
3,4-dimethylanisole

Conditions

Conditions	Yield
With dimanganese decacarbonyl at 180℃; for 1h; Reagent/catalyst;	99%

: 95-65-8
3,4-Dimethylphenol

: 77-78-1
dimethyl sulfate

: 4685-47-6
3,4-dimethylanisole

Conditions

Conditions	Yield
With sodium hydroxide at 0 - 50℃; for 2h;	96%
With aluminum oxide; potassium hydroxide for 10h; microwave irradiation;	75%
With sodium hydroxide at 90℃;

: 583-71-1
4-bromo-o-xylene

: 124-41-4
sodium methylate

: 4685-47-6
3,4-dimethylanisole

Conditions

Conditions	Yield
With copper(I) bromide In methanol at 125 - 130℃; for 4h; Autoclave;	96%

: 95-65-8
3,4-Dimethylphenol

: 74-88-4
methyl iodide

: 4685-47-6
3,4-dimethylanisole

Conditions

Conditions	Yield
With potassium hydroxide In methanol; water	81%

: 95-65-8
3,4-Dimethylphenol

: 562-54-9
potassium methyl sulfate

: 4685-47-6
3,4-dimethylanisole

Conditions

Conditions	Yield
With sodium hydroxide

: 52289-54-0
4-methoxysalicylaldehyde

: 4685-47-6
3,4-dimethylanisole

Conditions

Conditions	Yield
With potassium hydroxide; hydrazine hydrate; diethylene glycol

: 84658-09-3
2-methyl-4-methoxybenzyl chloride

: 4685-47-6
3,4-dimethylanisole

Conditions

Conditions	Yield
palladium on activated charcoal

: 615-60-1
4-chloro-1,2-dimethylbenzene

: 865-33-8
potassium methanolate

: 4685-47-6
3,4-dimethylanisole

Conditions

Conditions	Yield
With 18-crown-6 ether; iodine; chromium(0) hexacarbonyl 1.) diglyme, cyclohexane, reflux, 75 h, 2.) benzene, 60 deg C, 2.0 h, 3.) THF, R.T., 30 min; Yield given. Multistep reaction;

: 100-84-5
1-methoxy-3-methyl-benzene

: 4685-47-6
3,4-dimethylanisole

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: POCl3 2: N2H4+H2O; KOH; diethylene glycol View Scheme
Multi-step reaction with 2 steps 1: (chloromethylation) 2: Pd-C View Scheme

: 4685-47-6
3,4-dimethylanisole

: 52289-54-0
4-methoxysalicylaldehyde

Conditions

Conditions	Yield
With dipotassium peroxodisulfate; copper(ll) sulfate pentahydrate In water; acetonitrile at 90℃; for 0.5h;	100%
With dipotassium peroxodisulfate; copper(II) sulfate In water; acetonitrile for 0.5h; Heating;	92%
With ammonium cerium(IV) nitrate In methanol at 27 - 28℃; for 0.0833333h;	86%

: 4685-47-6
3,4-dimethylanisole

: 32723-67-4
3-methyl-4-anisaldehyde

Conditions

Conditions	Yield
With dipotassium peroxodisulfate; copper(II) sulfate In water; acetonitrile for 0.5h; Heating / reflux;	100%

: 4685-47-6
3,4-dimethylanisole

: 21883-13-6
4-methoxy-2-methylbenzonitrile

Conditions

Conditions	Yield
With tert.-butylnitrite; N-hydroxyphthalimide; palladium diacetate In acetonitrile at 80℃; for 24h; Concentration; Inert atmosphere; Sealed tube;	99%
With sodium azide; copper(ll) sulfate pentahydrate; [bis(acetoxy)iodo]benzene In acetonitrile at -40 - 25℃; Inert atmosphere;	76%

: 4685-47-6
3,4-dimethylanisole

: 129633-42-7
2,6-Dibromo-1-methoxy-3,4-dimethylbenzene

Conditions

Conditions	Yield
With benzyltrimethylazanium tribroman-2-uide; zinc(II) chloride In acetic acid for 1h; Ambient temperature;	95%

: 4685-47-6
3,4-dimethylanisole

A: 95-65-8
3,4-Dimethylphenol

B: 10463-42-0
3,4-dimethyl-cyclohex-2-enone

Conditions

Conditions	Yield
With N,N,N,N,N,N-hexamethylphosphoric triamide; lithium In tetrahydrofuran; ethanol at -30℃; for 2h;	A 3% B 94%

: 4685-47-6
3,4-dimethylanisole

: 36132-96-4
1,2-bis(bromomethyl)-4-methoxybenzene

Conditions

Conditions	Yield
With N-Bromosuccinimide; 2,2'-azobis(isobutyronitrile) In tetrachloromethane for 4h; Heating;	94%
With N-Bromosuccinimide; dibenzoyl peroxide In dimethyl sulfoxide	68%
With N-Bromosuccinimide; Perbenzoic acid In tetrachloromethane for 15h; Heating;	65%

: 4685-47-6
3,4-dimethylanisole

: 98-88-4
benzoyl chloride

: 4072-15-5
(4,5-dimethyl-2-methoxyphenyl)(phenyl)methanone

Conditions

Conditions	Yield
With lithium perchlorate; scandium tris(trifluoromethanesulfonate) In nitromethane at 20℃; for 72h;	93%

: 4685-47-6
3,4-dimethylanisole

: 50772-82-2
2-iodo-4,5-dimethyl-anisole

Conditions

Conditions	Yield
With N,N,N-trimethylbenzenemethanaminium dichloroiodate; zinc(II) chloride In acetic acid for 0.5h; Ambient temperature;	92%
Multi-step reaction with 3 steps 1: acetic acid; concentrated aqueous HNO3 2: Raney nickel; ethanol 3: aqueous H2SO4; NaNO2 / Diazotization.Erwaermen der erhaltenen Diazoniumsalz-Loesung mit KI auf dem Dampfbad View Scheme
With iron(III) chloride; N-iodo-succinimide; 1-butyl-3-methylimidazolium trifluoromethanesulfonimide In toluene at 70℃; for 5h; Inert atmosphere; regioselective reaction;

: 4685-47-6
3,4-dimethylanisole

: 33500-88-8
1-bromo-2-methoxy-4,5-dimethylbenzene

Conditions

Conditions	Yield
With bromine In dichloromethane at -70℃; Inert atmosphere;	91%
With bromine In dichloromethane at -70℃; for 1h;	91%
With tetra-N-butylammonium tribromide In methanol; dichloromethane at 20℃;	75%
With N-Bromosuccinimide In acetonitrile at 35℃; for 20h; Inert atmosphere;	45%
With carbon disulfide; bromine

: 4685-47-6
3,4-dimethylanisole

: 160754-06-3
3,4-dimethyl-2,6-dinitroanisole

Conditions

Conditions	Yield
Stage #1: 3,4-dimethylanisole With nitric acid In 1,2-dichloro-ethane at 20 - 25℃; for 5h; Stage #2: With sulfuric acid; nitric acid at 55 - 60℃; for 5h;	90%

: 4685-47-6
3,4-dimethylanisole

: 199620-14-9, 13007-92-6
chromium(0) hexacarbonyl

: 77490-94-9
(η6-3,4-dimethylanisole)tricarbonyl chromium

Conditions

Conditions	Yield
With THF (catalyst) In tetrahydrofuran; dibutyl ether under N2, educts heated under reflux in n-Bu2O-THF for 21 h in the dark; cooled soln. filtered through Kieselguhr, evapd. in vac., solid dissolved in acetone, filtered, pptd. by addn. of light petroleum, recrystd. from acetone/light petroleum; elem. anal.;	87%
In tetrahydrofuran at 150℃; for 48h; Inert atmosphere;	87%

: 4685-47-6
3,4-dimethylanisole

: 43087-42-9
1-methoxy-4,5-dimethylcyclohexa-1,4-diene

Conditions

Conditions	Yield
With ethanol; ammonia; sodium In tetrahydrofuran for 3h;	84%
Birch reduction;	67%
With methanol; ammonia; sodium
(i) Li, liq. NH3, Et2O, (ii) EtOH; Multistep reaction;

: 4685-47-6
3,4-dimethylanisole

: C12H20F2

: C21H29FO

Conditions

Conditions	Yield
With 1-oxothiolane; dimethyldiacetoxysilane; cesium adamantane-1-carboxylate; C44H34Cl4F12Ir2; oxygen; copper diacetate In para-xylene at 85℃; Sealed tube; diastereoselective reaction;	80%

: 80172-73-2
1-[(4-methoxyphenyl)sulfanyl]pyrrolidine-2,5-dione

: 4685-47-6
3,4-dimethylanisole

: (2-methoxy-4,5-dimethylphenyl)(4′-methoxyphenyl)sulfane

Conditions

Conditions	Yield
With iron(III) chloride; 1-butyl-3-methylimidazolium trifluoromethanesulfonimide In chloroform at 40℃; for 5h; regioselective reaction;	76%

: 4685-47-6
3,4-dimethylanisole

: 368-39-8
triethyloxonium fluoroborate

: 199620-14-9, 13007-92-6
chromium(0) hexacarbonyl

: (CO)5CrC(OC2H5)C6H2(CH3)2OCH3

Conditions

Conditions	Yield
With n-butyl lithium In diethyl ether aryllithium (10-20°C, n-BuLi, (C2H5)2O, 20 h at room temp.) was treated with Cr(CO)6 in (C2H5)2O, the temp. was raised to 20-25°C for 30 min, evapd., dissolved in min cold H2O, a soln. of (C2H5)3OBF4 inCH2Cl2 was added (Ar); extd. with petroleum ether, filtered through silica;	69%

...Expand

: 93-51-6
2-Methoxy-4-methylphenol

: 4685-47-6
3,4-dimethylanisole

: 2',3-dimethoxy-2-hydroxy-4',5,5'-trimethylbiphenyl

Conditions

Conditions	Yield
With 1,1,1,3',3',3'-hexafluoro-propanol at 50℃; Electrolysis;	63%

: 636-82-8
cyclohexene-1-carboxylic acid

: 4685-47-6
3,4-dimethylanisole

: 118104-49-7
(4aR,9aS)-8-Methoxy-5,6-dimethyl-1,2,3,4,4a,9a-hexahydro-fluoren-9-one

Conditions

Conditions	Yield
With PPA; Polyphosphoric acid (PPA) at 100℃; for 3h;	60%

: 91-10-1
1,3-dimethoxy-2-hydroxy-benzene

: 4685-47-6
3,4-dimethylanisole

: 2',3,5-trimethoxy-4',5'-dimethyl-[1,1'-biphenyl]-4-ol

Conditions

Conditions	Yield
With dipotassium peroxodisulfate; tetra(n-butyl)ammonium hydrogensulfate; trifluoroacetic acid at 20℃; for 2h; Schlenk technique; regioselective reaction;	60%

: 327-54-8
1,2,4,5-Tetrafluorobenzene

: 4685-47-6
3,4-dimethylanisole

: 2,3,5,6-tetrafluoro-2'-methoxy-4',5'-dimethyl-1,1'-biphenyl

Conditions

Conditions	Yield
With (triphenylphosphine)gold(I) chloride; 1-pivaloyloxy-1,2-benziodoxol-3(1H)-one; silver pivalate; dimethyl sulfoxide In 1,4-dioxane at 120℃; for 16h; Inert atmosphere; regioselective reaction;	59%

: 124-38-9
carbon dioxide

: 4685-47-6
3,4-dimethylanisole

: 942-97-2
4-methoxy-2-methylphenylacetic acid

Conditions

Conditions	Yield
With bis(2-pyridyl)methane; xanth-9-one; nickel(II) chloride hexahydrate; potassium tert-butylate In benzene at 20℃; under 760.051 Torr; for 4h; Irradiation; Schlenk technique;	58%

: 4685-47-6
3,4-dimethylanisole

: 18087-11-1
4,5-dimethyl-2-nitro-anisole

Conditions

Conditions	Yield
With trifluoroacetic acid; sodium nitrite In water	55%
With nitric acid; acetic acid
With nitric acid; acetic anhydride

: 67-56-1
methanol

: 4685-47-6
3,4-dimethylanisole

: 35598-05-1
methyl 4-methoxy-2-methylbenzoate

Conditions

Conditions	Yield
With tetradecyl(tributyl)phosphonium methanesulfonate at 20℃; for 18h; Inert atmosphere; Electrolysis; Sealed tube; Green chemistry;	53%

: 1560-11-8
cyclopent-1-enecarboxylic acid

: 4685-47-6
3,4-dimethylanisole

: 124703-10-2
(3aR,8aS)-7-Methoxy-4,5-dimethyl-2,3,3a,8a-tetrahydro-1H-cyclopenta[a]inden-8-one

Conditions

Conditions	Yield
With PPA; Polyphosphoric acid (PPA) at 100℃; for 3h;	50%

Benzene, 4-methoxy-1,2-dimethyl- Specification

This chemical is called Benzene, 4-methoxy-1,2-dimethyl-, and its systematic name is 4-methoxy-1,2-dimethyl-benzene. With the molecular formula of C₉H₁₂O, its molecular weight is 136.19. The CAS registry number of this chemical is 4685-47-6. Additionally, its product categories are Aromatic Ethers; Anisoles, Alkyloxy Compounds & Phenylacetates; Ethers; Organic Building Blocks; Oxygen Compounds.

Other characteristics of the Benzene, 4-methoxy-1,2-dimethyl- can be summarised as followings: (1)ACD/LogP: 3.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.05; (4)ACD/LogD (pH 7.4): 3.05; (5)#H bond acceptors: 1; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 1; (8)Index of Refraction: 1.495; (9)Molar Refractivity: 42.58 cm³; (10)Molar Volume: 145.9 cm³; (11)Polarizability: 16.88×10^-24cm³; (12)Surface Tension: 29.1 dyne/cm; (13)Density: 0.932 g/cm³; (14)Flash Point: 75.6 °C; (15)Enthalpy of Vaporization: 42.14 kJ/mol; (16)Boiling Point: 203.1 °C at 760 mmHg; (17)Vapour Pressure: 0.402 mmHg at 25°C.

Uses of this chemical: The 2,6-Dibromo-1-methoxy-3,4-dimethylbenzene could be obtained by the reactant of Benzene, 4-methoxy-1,2-dimethyl-. This reaction needs the reagent of benzyltrimethylammonium tribromide (BTMA*Br₃), ZnCl₂, and the solvent of acetic acid. The yield is 95 %. This reaction should be taken for 1 hours at the ambient temperature.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1.SMILES: Cc1ccc(OC)cc1C
2.InChI: InChI=1/C9H12O/c1-7-4-5-9(10-3)6-8(7)2/h4-6H,1-3H3
3.InChIKey: LVUBSVWMOWKPDJ-UHFFFAOYAQ

Product Name

3,4-DIMETHYLANISOLE

Synthetic route

Benzene, 4-methoxy-1,2-dimethyl- Specification

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