4-Hydroxy-3-methoxybenzonitrile supplier

Name
4-Hydroxy-3-methoxybenzonitrile
EINECS 224-589-0
CAS No. 4421-08-3
Article Data81
CAS DataBase
Density 1.245 g/cm³
Solubility
Melting Point 85-87 °C(lit.)
Formula C₈H₇NO₂
Boiling Point 291.559 °C at 760 mmHg
Molecular Weight 149.149
Flash Point 130.131 °C
Transport Information
Appearance beige crystalline powder
Safety 26-36/37/39
Risk Codes 20/21/22-36/37/38
Molecular Structure
Hazard Symbols Xn
Synonyms 2-Methoxy-4-cyanophenol;3-Methoxy-4-hydroxybenzonitrile;4-Cyano-2-methoxyphenol;NSC 158285;
PSA 53.25000
LogP 1.27248

Synthetic route

: 121-33-5
vanillin

: 4421-08-3
3-methoxy-4-hydroxybenzonitrile

Conditions

Conditions	Yield
With phenoxyamine hydrochloride In methanol; aq. phosphate buffer; water-d2 at 60℃; for 8h; pH=6.5;	99%
With iron(III) chloride; hydroxylamine hydrochloride In N,N-dimethyl-formamide for 3h; Reagent/catalyst; Reflux;	98%
With copper(II) oxide; hydroxylamine hydrochloride In neat (no solvent) for 0.0194444h; Mechanism; Reagent/catalyst; Microwave irradiation; Green chemistry;	98%

: 2874-33-1
vanillin oxime

: 4421-08-3
3-methoxy-4-hydroxybenzonitrile

Conditions

Conditions	Yield
With iron(III) chloride; silica gel In neat (no solvent) at 110℃; for 1.5h; Catalytic behavior; Concentration; Temperature; Green chemistry;	98%
With silica gel for 0.0166667h; microwave irradiation;	95%
With hydroxylamine hydrochloride; phosphorus pentoxide; silica gel for 0.0166667h; microwave irradiation;	95%

: vanillin oxime hydrochloride

: 4421-08-3
3-methoxy-4-hydroxybenzonitrile

Conditions

Conditions	Yield
at 100℃; for 8h; Beckmann rearrangement;	92%

: potassiumhexacyanoferrate(II) trihydrate

: 203861-62-5
2-methoxy-4-iodophenol

: 4421-08-3
3-methoxy-4-hydroxybenzonitrile

Conditions

Conditions	Yield
With tetrabutylammomium bromide; copper(II) acetate monohydrate In water at 180℃; for 22h;	86%

: 203861-62-5
2-methoxy-4-iodophenol

: potassium ferrocyanide

: 4421-08-3
3-methoxy-4-hydroxybenzonitrile

Conditions

Conditions	Yield
With caesium carbonate In N,N-dimethyl-formamide at 130℃; for 10h; Schlenk technique;	86%

: 2024-83-1
veratronitrile

A: 4421-08-3
3-methoxy-4-hydroxybenzonitrile

B: 52805-46-6
2-methoxy-5-cyanophenol

Conditions

Conditions	Yield
With sodium methylate; 1-dodecylthiol In N,N-dimethyl-formamide at 100℃; for 1h;	A 83% B 17%

: 1196-92-5
Vanillylamin

: 4421-08-3
3-methoxy-4-hydroxybenzonitrile

Conditions

Conditions	Yield
With ammonium hydroxide; oxygen In tert-Amyl alcohol at 110℃; under 2250.23 Torr; for 15h; Autoclave; Green chemistry;	83%

: 134283-49-1
(E)-4-hydroxy-3-methoxybenzaldehyde oxime

: 4421-08-3
3-methoxy-4-hydroxybenzonitrile

Conditions

Conditions	Yield
at 120℃; for 2.5h; Beckmann rearrangement; Heating;	73%

: 115109-49-4
2-(2-methoxy-4-cyanophenoxy)-acetic acid

: 4421-08-3
3-methoxy-4-hydroxybenzonitrile

Conditions

Conditions	Yield
Stage #1: 2-(2-methoxy-4-cyanophenoxy)-acetic acid With triethylamine In N,N-dimethyl-formamide; toluene for 3h; Curtius rearrangement; Heating; Stage #2: With potassium hydroxide; glycerol In ethanol; N,N-dimethyl-formamide; toluene for 2h; Heating; Further stages.;	70%

: 2150-38-1
methyl 3,4-dimethoxybenzoate

A: 17345-61-8
3,4-dihydroxybenzonitrile

B: 4421-08-3
3-methoxy-4-hydroxybenzonitrile

Conditions

Conditions	Yield
With sodium hexamethyldisilazane In tetrahydrofuran at 185℃; for 24h;	A 63% B 23%

: 306-08-1
Homovanillic acid

: 4421-08-3
3-methoxy-4-hydroxybenzonitrile

Conditions

Conditions	Yield
With iron(III) trifluoromethanesulfonate; sodium nitrite In dimethyl sulfoxide at 50℃; for 10h; Inert atmosphere; Sealed tube;	62%

: potassium hexacyanoferrate(II) trihydrate

: 203861-62-5
2-methoxy-4-iodophenol

: 4421-08-3
3-methoxy-4-hydroxybenzonitrile

Conditions

Conditions	Yield
With tetrabutylammomium bromide; copper(II) acetate monohydrate In water at 20 - 140℃; Microwave irradiation;	59%

: 2150-38-1
methyl 3,4-dimethoxybenzoate

A: 4421-08-3
3-methoxy-4-hydroxybenzonitrile

B: 52805-46-6
2-methoxy-5-cyanophenol

Conditions

Conditions	Yield
With sodium hexamethyldisilazane In tetrahydrofuran at 110℃; for 24h;	A 55% B 18%

: 2024-83-1
veratronitrile

A: 17345-61-8
3,4-dihydroxybenzonitrile

B: 4421-08-3
3-methoxy-4-hydroxybenzonitrile

Conditions

Conditions	Yield
With 1,3-dimethyl-2-imidazolidinone; sodium hexamethyldisilazane In tetrahydrofuran at 185℃; for 12h; further reagent: LDA;	A 53% B 28%

: 7368-78-7
4-bromoguaiacol

: 19158-51-1
P-toluenesulfonyl cyanide

: 4421-08-3
3-methoxy-4-hydroxybenzonitrile

Conditions

Conditions	Yield
Stage #1: 4-bromoguaiacol; P-toluenesulfonyl cyanide With potassium phosphate; (4s,6s)-2,4,5,6-tetra(9H-carbazol-9-yl)isophthalonitrile In acetone for 0.25h; Inert atmosphere; Sealed tube; Stage #2: With 1,1,1,3,3,3-hexamethyl-2-(trimethylsilyl)-2-trisilanol In acetone for 12h; Inert atmosphere; Irradiation;	41%

: 28335-42-4
4-cyano-2-methoxyphenyl acetate

: 4421-08-3
3-methoxy-4-hydroxybenzonitrile

Conditions

Conditions	Yield
With potassium hydroxide
With hydrogenchloride
With potassium hydroxide In ethanol for 0.333333h; Heating; Yield given;

: 52805-34-2
4-(benzyloxy)-3-methoxybenzonitrile

: 4421-08-3
3-methoxy-4-hydroxybenzonitrile

Conditions

Conditions	Yield
With hydrogen; palladium on activated charcoal

: 7664-93-9
sulfuric acid

: 121-33-5
vanillin

NaN3: NaN3

: 4421-08-3
3-methoxy-4-hydroxybenzonitrile

...Expand

copper cyanide: copper cyanide

diazotized 4-amino-pyrocatechol-2-methyl ether: diazotized 4-amino-pyrocatechol-2-methyl ether

: 4421-08-3
3-methoxy-4-hydroxybenzonitrile

: 3-methoxy-4-picryloxy-benzaldehyde-(O-picryl-seqtrans-oxime )

alcoholic KOH-solution: alcoholic KOH-solution

A: 4421-08-3
3-methoxy-4-hydroxybenzonitrile

B: 88-89-1
2,4,6-Trinitrophenol

...Expand

: 121-33-5
vanillin

A: 2874-33-1
vanillin oxime

B: 4421-08-3
3-methoxy-4-hydroxybenzonitrile

Conditions

Conditions	Yield
With hydroxylamine hydrochloride; FeOO280 In toluene for 6h; Condensation; dehydration; Heating;	A 43 % Chromat. B 57 % Chromat.
With hydroxylamine hydrochloride; titanium(IV) oxide for 0.00833333h; Microwave irradiation; Neat (no solvent);

: 121-33-5
vanillin

5-fluoro-2-trifluoromethylbenzyl halide: 5-fluoro-2-trifluoromethylbenzyl halide

: 4421-08-3
3-methoxy-4-hydroxybenzonitrile

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: (NH2OH)2*H2SO4; sodium acetate / ethanol / Heating 2: SOCl2 / benzene / Heating View Scheme
Multi-step reaction with 2 steps 1: 89 percent / aq. NaOH; hydroxylamine hydrochloride / ethanol / 0 - 20 °C 2: 85 percent / phthalic anhydride / 0.08 h / Heating View Scheme

: 121-33-5
vanillin

iron (II)-chloride: iron (II)-chloride

: 4421-08-3
3-methoxy-4-hydroxybenzonitrile

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: NH2OH*HCl; Et3N / CHCl3 / 0 - 20 °C 2: bis(trichloromethyl) carbonate / CHCl3 / 20 °C View Scheme

: 2426-87-1
3-methoxy-4-(phenylmethoxy)benzaldehyde

: 4421-08-3
3-methoxy-4-hydroxybenzonitrile

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: (i) NH2OHHCl, Py, (ii) DCC, CuSO45H2O, Et3N 2: H2 / Pd-C View Scheme

pentahydrated cupric sulfate: pentahydrated cupric sulfate

: 2021-40-1
(4-hydroxy-3-methoxy-phenyl)-glyoxylic acid

: 4421-08-3
3-methoxy-4-hydroxybenzonitrile

Conditions

Conditions	Yield
With sodium hydroxide; ammonia In water

: 1527-84-0
4-(hydrazonomethyl)-2-methoxyphenol

: 4421-08-3
3-methoxy-4-hydroxybenzonitrile

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: laccase from Trametesversicolor; oxygen / dimethyl sulfoxide / 16 h / 30 °C / pH 4.7 / Enzymatic reaction 2: hydroxylamine hydrochloride / acetonitrile / 4 h / Reflux View Scheme

: 56929-45-4
4-((2-(1H-tetrazol-5-yl)hydrazono)methyl)-2-methoxyphenol

: 4421-08-3
3-methoxy-4-hydroxybenzonitrile

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: laccase from Trametesversicolor; oxygen / ethanol / 2 h / 30 °C / pH 4.7 / Enzymatic reaction 2: hydroxylamine hydrochloride / acetonitrile / 4 h / Reflux View Scheme

: 7368-78-7
4-bromoguaiacol

: copper(l) cyanide

: 4421-08-3
3-methoxy-4-hydroxybenzonitrile

Conditions

Conditions	Yield
In N,N-dimethyl-formamide

: 90-05-1
2-methoxy-phenol

: 4421-08-3
3-methoxy-4-hydroxybenzonitrile

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: N-Bromosuccinimide 2: N,N-dimethyl-formamide View Scheme

: 4421-08-3
3-methoxy-4-hydroxybenzonitrile

: 2-methoxy-4-(2H-tetrazol-5-yl)-phenol

Conditions

Conditions	Yield
With sodium azide; zinc dibromide In water; isopropyl alcohol at 80℃; for 24h;	100%
With ammonium azide; ammonium chloride; lithium chloride In N,N-dimethyl-formamide at 120 - 130℃; for 24h;	40%

: 4421-08-3
3-methoxy-4-hydroxybenzonitrile

: 100-39-0
benzyl bromide

: 52805-34-2
4-(benzyloxy)-3-methoxybenzonitrile

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 20℃;	100%
With potassium carbonate In N,N-dimethyl-formamide at 0 - 20℃; for 18h;	100%
Stage #1: 3-methoxy-4-hydroxybenzonitrile With potassium carbonate In acetonitrile at 20℃; for 0.166667h; Stage #2: benzyl bromide In acetonitrile for 5h; Reflux;	96.8%

: 4421-08-3
3-methoxy-4-hydroxybenzonitrile

: 18162-48-6
tert-butyldimethylsilyl chloride

: 1245744-72-2
4-(tert-butyldimethylsilyloxy)-3-methoxybenzonitrile

Conditions

Conditions	Yield
With 1H-imidazole In dichloromethane at 20℃; for 2h; Inert atmosphere;	100%

: 4421-08-3
3-methoxy-4-hydroxybenzonitrile

: 13360-57-1
dimethylamino sulfonyl chloride

: 1432739-31-5
4-cyano-2-methoxyphenyl N,N-dimethylsulfamate

Conditions

Conditions	Yield
Stage #1: 3-methoxy-4-hydroxybenzonitrile With dmap; triethylamine In dichloromethane at 20℃; for 0.166667h; Stage #2: dimethylamino sulfonyl chloride In dichloromethane at 20℃; for 16h;	100%

: 74-96-4
ethyl bromide

: 4421-08-3
3-methoxy-4-hydroxybenzonitrile

: 81259-56-5
4-ethoxy-3-methoxybenzonitrile

Conditions

Conditions	Yield
Stage #1: 3-methoxy-4-hydroxybenzonitrile With sodium hydride In N,N-dimethyl-formamide at 0℃; for 0.583333h; Stage #2: ethyl bromide In N,N-dimethyl-formamide at 0 - 20℃;	100%
With potassium carbonate In acetone Reflux;

: 4421-08-3
3-methoxy-4-hydroxybenzonitrile

: 6,6'-dihydroxy-5,5'-dimethoxy-[1,1'-biphenyl]-3,3'-dicarbonitrile

Conditions

Conditions	Yield
With laccase from Trametesversicolor; oxygen In aq. acetate buffer at 30℃; for 2h; pH=4.7; Reagent/catalyst; Enzymatic reaction;	99%
With laccase from Trametes versicolor; oxygen In acetone at 20℃; for 24h; pH=5; Green chemistry; Enzymatic reaction;	95%
With laccase from Trametes versicolor; oxygen In acetone at 20℃; for 24h; pH=5; Enzymatic reaction;	95%

: 4421-08-3
3-methoxy-4-hydroxybenzonitrile

: 402-49-3
4-bromomethyltrifluoromethylbenzene

: 3-methoxy-4-((4-(trifluoromethyl)benzyl)oxy)benzonitrile

Conditions

Conditions	Yield
With potassium carbonate In acetonitrile at 80℃; Williamson Ether Synthesis; Inert atmosphere;	99%

: 358-23-6
trifluoromethylsulfonic anhydride

: 4421-08-3
3-methoxy-4-hydroxybenzonitrile

: 652997-57-4
3-methoxy-4-O-trifluoromethylsulfonylbenzonitrile

Conditions

Conditions	Yield
With triethylamine In dichloromethane at -78 - 20℃; for 14h; Inert atmosphere;	98.4%
With pyridine at 20 - 25℃;	92%
With pyridine at 20 - 25℃; for 1h;	92%

: 4421-08-3
3-methoxy-4-hydroxybenzonitrile

: 75-03-6
ethyl iodide

: 81259-56-5
4-ethoxy-3-methoxybenzonitrile

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 0 - 40℃; for 16h;	98%
With potassium hydroxide

: 4421-08-3
3-methoxy-4-hydroxybenzonitrile

: 17345-61-8
3,4-dihydroxybenzonitrile

Conditions

Conditions	Yield
With aluminium(III) iodide; diisopropyl-carbodiimide In acetonitrile at 80℃; for 18h;	98%
With aluminium(III) iodide; calcium oxide In acetonitrile at 80℃; for 18h;	95%
With aluminium(III) iodide In dimethyl sulfoxide; acetonitrile at 80℃; for 18h;	95%

: 4421-08-3
3-methoxy-4-hydroxybenzonitrile

: 55-86-7
mechlorethamine hydrochloride

: 1357621-02-3
1,5-bis(4-cyano-2-methoxyphenoxy)-N-methyl-3-azapentane

Conditions

Conditions	Yield
With potassium carbonate In 1-methyl-pyrrolidin-2-one at 115℃; for 3h;	98%

: 4421-08-3
3-methoxy-4-hydroxybenzonitrile

: 28188-41-2
3-(bromomethyl)benzonitrile

: 923831-00-9
3-cyanobenzyl 4-cyano-2-methoxyphenyl ether

Conditions

Conditions	Yield
Stage #1: 3-methoxy-4-hydroxybenzonitrile With potassium carbonate In N,N-dimethyl-formamide for 0.5h; Stage #2: m-(bromomethyl)benzonitrile In N,N-dimethyl-formamide	98%

: 4421-08-3
3-methoxy-4-hydroxybenzonitrile

: 350672-14-9
2-(chloromethyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole

: 4-((5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl)methoxy)-3-methoxybenzonitrile

Conditions

Conditions	Yield
With potassium carbonate; potassium iodide In N,N-dimethyl-formamide at 20℃;	98%

: 4421-08-3
3-methoxy-4-hydroxybenzonitrile

: 100-44-7
benzyl chloride

: 52805-34-2
4-(benzyloxy)-3-methoxybenzonitrile

Conditions

Conditions	Yield
Stage #1: 3-methoxy-4-hydroxybenzonitrile With potassium carbonate In acetonitrile at 20℃; for 0.166667h; Stage #2: benzyl chloride In acetonitrile for 5h; Reflux;	95.7%
With potassium carbonate In acetone	88%

: 75-30-9
2-iodo-propane

: 4421-08-3
3-methoxy-4-hydroxybenzonitrile

: 757192-64-6
4-isopropoxy-3-methoxybenzonitrile

Conditions

Conditions	Yield
With potassium carbonate In acetone for 22h; Reflux;	95%
With potassium carbonate In acetone for 22h; Reflux;

: CH3O3S(1-)*C11H19N2O(1+)

: 4421-08-3
3-methoxy-4-hydroxybenzonitrile

: 1319736-49-6
3-methoxy-4-(4-(4-methyl-3-oxopiperazin-1-yl)cyclohexyloxy)benzonitrile

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl acetamide at 120℃; for 3h;	94%

: 1207726-33-7
spiro[7-azoniabicyclo[2,2,1]heptane-7,4'-[1'-methyl-2'-oxo-4'-piperazinium]methanesulphonate]

: 4421-08-3
3-methoxy-4-hydroxybenzonitrile

: 3-methoxy-4-(4-(4-methyl-3-oxo-piperazine-1-yl)cyclohexyloxy)benzonitrile

Conditions

Conditions	Yield
With potassium carbonate In ISOPROPYLAMIDE at 120℃; for 3h;	94%

: 14267-92-6
1-chloro-4-pentyne

: 4421-08-3
3-methoxy-4-hydroxybenzonitrile

: 3-methoxy-4-(pent-4-yn-1-yloxy)benzonitrile

Conditions

Conditions	Yield
With potassium carbonate; potassium iodide In 1-methyl-pyrrolidin-2-one at 65℃; for 24h;	93%

: 4421-08-3
3-methoxy-4-hydroxybenzonitrile

: 107-30-2
chloromethyl methyl ether

: 161196-85-6
3-methoxy-4-(methoxymethyloxy)benzonitrile

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃; for 3h;	92%
With N-ethyl-N,N-diisopropylamine In dichloromethane	80%

: 10465-81-3
1,1'-(Azodicarbonyl)dipiperidin

: 4421-08-3
3-methoxy-4-hydroxybenzonitrile

: 198064-22-1
4-(4-chlorophenyl)-5-(3-hydroxypropyl)-2-(2-methylimidazol-1-yl)oxazole

: 327189-33-3
4-(4-chlorophenyl)-5-[3-(4-cyano-2-methoxyphenoxy)propyl]-2-(2-methyl-1-imidazolyl)oxazole

Conditions

Conditions	Yield
With tributylphosphine In tetrahydrofuran	92%

...Expand

: 4421-08-3
3-methoxy-4-hydroxybenzonitrile

: 1025373-45-8
trifluoromethanesulfonic acid anhydride

: 652997-57-4
3-methoxy-4-O-trifluoromethylsulfonylbenzonitrile

Conditions

Conditions	Yield
With pyridine at 0 - 25℃;	92%

: 109-65-9
1-bromo-butane

: 4421-08-3
3-methoxy-4-hydroxybenzonitrile

: 3-methoxy-4-butoxybenzonitrile

Conditions

Conditions	Yield
Stage #1: 3-methoxy-4-hydroxybenzonitrile With potassium carbonate In water; N,N-dimethyl-formamide at 20℃; for 1h; Stage #2: 1-bromo-butane In water; N,N-dimethyl-formamide at 20 - 37℃;	92%
Stage #1: 3-methoxy-4-hydroxybenzonitrile With potassium carbonate In water; N,N-dimethyl-formamide at 20℃; for 1h; Stage #2: 1-bromo-butane In water; N,N-dimethyl-formamide at 20 - 37℃;

: 4421-08-3
3-methoxy-4-hydroxybenzonitrile

: 24023-71-0
2-(chloromethyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole

: 3-methoxy-4-((5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl)methoxy)benzonitrile

Conditions

Conditions	Yield
With potassium carbonate; potassium iodide In N,N-dimethyl-formamide at 20℃;	92%

: 4421-08-3
3-methoxy-4-hydroxybenzonitrile

ethyl halide: ethyl halide

: 81259-56-5
4-ethoxy-3-methoxybenzonitrile

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 20 - 37℃;	91.8%

: 292638-84-7
styrene

: 67-56-1
methanol

: 4421-08-3
3-methoxy-4-hydroxybenzonitrile

: (1S*,4R*,7R*)-6,6-dimethoxy-5-oxo-8-phenylbicyclo[2.2.2]oct-2-en-2-yl cyanide

Conditions

Conditions	Yield
With [bis(acetoxy)iodo]benzene at 50℃; for 1h; Oxidation; Diels-Alder cycloaddition;	91%
With [bis(acetoxy)iodo]benzene at 50℃; for 4h; Diels-Alder reaction;	91%

...Expand

: 13154-24-0
triisopropylsilyl chloride

: 4421-08-3
3-methoxy-4-hydroxybenzonitrile

: 222622-85-7
3-methoxy-4-(triisopropylsilyloxy)benzonitrile

Conditions

Conditions	Yield
With 1H-imidazole In N,N-dimethyl-formamide at 20℃;	91%
With 1H-imidazole In N,N-dimethyl-formamide at 20℃; Inert atmosphere;	91%

: 4421-08-3
3-methoxy-4-hydroxybenzonitrile

: 75-36-5
acetyl chloride

: 28335-42-4
4-cyano-2-methoxyphenyl acetate

Conditions

Conditions	Yield
With pyridine In tetrahydrofuran at 20℃; for 2h;	91%

4-Hydroxy-3-methoxybenzonitrile Specification

The IUPAC name of Benzonitrile,4-hydroxy-3-methoxy- is 4-hydroxy-3-methoxybenzonitrile. With the CAS registry number 4421-08-3, it is also named as m-Anisonitrile, 4-hydroxy-. The product's categories are aromatic nitriles; anisoles, alkyloxy compounds & phenylacetates; nitriles; phenols; nitrogen compounds. In addition, it is beige crystalline powder.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 1.18; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.18; (4)ACD/LogD (pH 7.4): 1.05; (5)ACD/BCF (pH 5.5): 4.65; (6)ACD/BCF (pH 7.4): 3.44; (7)ACD/KOC (pH 5.5): 104.45; (8)ACD/KOC (pH 7.4): 77.14; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.568; (13)Molar Refractivity: 39.21 cm³; (14)Molar Volume: 119.7 cm³; (15)Polarizability: 15.54×10^-24 cm³; (16)Surface Tension: 55.4 dyne/cm; (17)Enthalpy of Vaporization: 55.23 kJ/mol; (18)Vapour Pressure: 0.00111 mmHg at 25°C; (19)Rotatable Bond Count: 1; (20)Tautomer Count: 3; (21)Exact Mass: 149.047678; (22)MonoIsotopic Mass: 149.047678; (23)Topological Polar Surface Area: 53.2; (24)Heavy Atom Count: 11.

Preparation of Benzonitrile,4-hydroxy-3-methoxy-: It can be obtained by 4-hydroxy-3-methoxy-benzaldehyde with NH₂OH*HCl and XY-zeolite at microwave irradiation in 1 min. The yield is 95%.

Uses of Benzonitrile,4-hydroxy-3-methoxy-: It reacts with acetic acid to get acetic acid 3-cyano-1-methoxy-6-oxo-cyclohexa-2,4-dienyl ester. This reaction which is Oxidation//acetoxylation needs reagent [(diacetoxy)iodo]benzene and solvent nitromethane. The reaction time is 10 min. The yield is 73 %.

When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation, in contact with skin and if swallowed. And it is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable gloves and eye/face protection.

People can use the following data to convert to the molecule structure.
1. SMILES: N#Cc1cc(OC)c(O)cc1;
2. InChI: InChI=1/C8H7NO2/c1-11-8-4-6(5-9)2-3-7(8)10/h2-4,10H,1H3.

Product Name

4-Hydroxy-3-methoxybenzonitrile

Synthetic route

4-Hydroxy-3-methoxybenzonitrile Specification

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