2-Isopropoxyphenol supplier

Name
2-Isopropoxyphenol
EINECS 225-379-1
CAS No. 4812-20-8
Article Data20
CAS DataBase
Density 1.047 g/cm³
Solubility Soluble in water.
Melting Point 206 - 207oC
Formula C₉H₁₂O₂
Boiling Point 219.7 °C at 760 mmHg
Molecular Weight 152.193
Flash Point 87.9 °C
Transport Information
Appearance clear light yellow to light red-brown liquid
Safety 26-37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Phenol,o-isopropoxy- (7CI,8CI);1-Hydroxy-2-isopropoxybenzene;2-IPP;2-Isopropoxyphenol;2-Isopropyloxyphenol;Catechol monoisopropyl ether;o-Isopropoxyphenol;ortho-Isopropoxyphenol;
PSA 29.46000
LogP 2.17940

Synthetic route

: 14005-14-2
2,2-dimethyl-1,3-benzodioxole

: 4812-20-8
2-Isopropoxyphenol

Conditions

Conditions	Yield
With aluminium trichloride; sulfuric acid	88%
With sulfuric acid; diisobutylaluminium hydride In methanol; water; toluene	72%

: 120-80-9
benzene-1,2-diol

: 75-26-3
isopropyl bromide

: 4812-20-8
2-Isopropoxyphenol

Conditions

Conditions	Yield
With potassium carbonate In acetone for 24h; Williamson synthesis; Reflux;	88%
With potassium hydroxide In dimethyl sulfoxide for 0.5h;	53%
With potassium hydroxide In dimethyl sulfoxide at 18℃; for 2h;

: 63635-26-7
2-isopropoxybenzoic acid

: 75-26-3
isopropyl bromide

: 4812-20-8
2-Isopropoxyphenol

Conditions

Conditions	Yield
With potassium hydroxide In methanol for 21h; Ambient temperature;	78.5%

: 2539-21-1
o-methoxyphenyl i-propyl ether

: 4812-20-8
2-Isopropoxyphenol

Conditions

Conditions	Yield
With sodium In N,N,N,N,N,N-hexamethylphosphoric triamide at 100℃; for 2h;	78%
With sodium In N,N,N,N,N,N-hexamethylphosphoric triamide at 100℃; for 2h; Mechanism;	78%
With ammonia; sodium

: 120-80-9
benzene-1,2-diol

: 75-26-3
isopropyl bromide

A: 4812-20-8
2-Isopropoxyphenol

B: 1698-98-2
Brenzcatechindi-isopropylether

Conditions

Conditions	Yield
With sodium In methanol for 3h; Condensation; Heating;	A 63% B 16%

...Expand

: (2-isopropoxybenzyl)trimethylsilane

: 4812-20-8
2-Isopropoxyphenol

Conditions

Conditions	Yield
With sodium persulfate; oxygen In acetonitrile at 55℃; for 9h;	56%

: 14005-14-2
2,2-dimethyl-1,3-benzodioxole

A: 4812-20-8
2-Isopropoxyphenol

B: 120-80-9
benzene-1,2-diol

Conditions

Conditions	Yield
With sodium di(ethyl)amine In N,N,N,N,N,N-hexamethylphosphoric triamide; benzene for 12h; Product distribution; Heating; other metal amide, other reagent-substrate ratio;	A 48% B 30%
With sodium di(ethyl)amine In N,N,N,N,N,N-hexamethylphosphoric triamide; benzene for 12h; Heating;	A 48% B 30%

: 2539-21-1
o-methoxyphenyl i-propyl ether

: 7664-41-7
ammonia

sodium: sodium

: 4812-20-8
2-Isopropoxyphenol

...Expand

: 114-26-1
Propoxur

A: 124-38-9
carbon dioxide

B: 4812-20-8
2-Isopropoxyphenol

C: 74-89-5
methylamine

Conditions

Conditions	Yield
With borate buffer; cetyltrimethylammonim bromide In water at 100℃; for 0.00833333h; pH=9.0; Product distribution; Further Variations:; Temperatures; Decomposition;

...Expand

: 114-26-1
Propoxur

: 4812-20-8
2-Isopropoxyphenol

Conditions

Conditions	Yield
With sodium hydroxide at 20℃; for 0.0833333h;

: 90-02-8
salicylaldehyde

hydrochloride of 2-nitro-4-methyl-phenylhydrazine: hydrochloride of 2-nitro-4-methyl-phenylhydrazine

: 4812-20-8
2-Isopropoxyphenol

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: 96 percent / K2CO3 / dimethylformamide / 48 h / Ambient temperature 2: 6.30 g / selenium dioxide, H2O2 / CH2Cl2 / 72 h / Ambient temperature 3: 78.5 percent / KOH / methanol / 21 h / Ambient temperature View Scheme

: 22921-58-0
2-isopropoxybenzaldehyde

: 4812-20-8
2-Isopropoxyphenol

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 6.30 g / selenium dioxide, H2O2 / CH2Cl2 / 72 h / Ambient temperature 2: 78.5 percent / KOH / methanol / 21 h / Ambient temperature View Scheme

: 91-16-7
1,2-dimethoxybenzene

: 4812-20-8
2-Isopropoxyphenol

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 75 percent / Na / hexamethylphosphoric acid triamide / 100 °C 2: 78 percent / Na / hexamethylphosphoric acid triamide / 2 h / 100 °C View Scheme

: 617-86-7
triethylsilane

: 14005-14-2
2,2-dimethyl-1,3-benzodioxole

: 4812-20-8
2-Isopropoxyphenol

Conditions

Conditions	Yield
With trifluoroacetic acid

: 14005-14-2
2,2-dimethyl-1,3-benzodioxole

: sodium bis(2-methoxyethoxy)aluminum dihydride

: 4812-20-8
2-Isopropoxyphenol

Conditions

Conditions	Yield
With aluminium trichloride In toluene

: 14005-14-2
2,2-dimethyl-1,3-benzodioxole

: sodium diethyl aluminum hydride

: 4812-20-8
2-Isopropoxyphenol

Conditions

Conditions	Yield
With aluminium trichloride; sulfuric acid In methanol; water; toluene

: 1-(bromomethyl)-2-(propan-2-yloxy)benzene

: 4812-20-8
2-Isopropoxyphenol

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: magnesium; iodine / tetrahydrofuran / 0.25 h / Inert atmosphere 2: sodium persulfate; oxygen / acetonitrile / 9 h / 55 °C View Scheme

: 4812-20-8
2-Isopropoxyphenol

: 106-95-6
allyl bromide

: 186743-35-1
2-isopropoxyallylphenol

Conditions

Conditions	Yield
With potassium carbonate In acetone for 12h;	100%

: 4812-20-8
2-Isopropoxyphenol

: 624-83-9
methyl isocyanate

: 114-26-1
Propoxur

Conditions

Conditions	Yield
With N,N'-dimethylbenzylamine at 60 - 90℃; for 3h; Reagent/catalyst; Temperature;	99%
In Dimethyldisulphide at 20℃; for 1h;

: 201230-82-2
carbon monoxide

: 4812-20-8
2-Isopropoxyphenol

: 106-99-0
buta-1,3-diene

: C18H24O3

Conditions

Conditions	Yield
With palladium diacetate; triphenylphosphine; benzoic acid In tetrahydrofuran at -40 - 80℃; under 15001.5 Torr; Autoclave; Inert atmosphere;	99%

...Expand

: 4812-20-8
2-Isopropoxyphenol

: 106-96-7
propargyl bromide

: 200286-21-1
1-Isopropoxy-2-prop-2-ynyloxy-benzene

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 50℃; for 2.5h;	97%

: 4812-20-8
2-Isopropoxyphenol

: 900174-04-1
5-iodo-2-isopropoxyphenol

Conditions

Conditions	Yield
Stage #1: 2-Isopropoxyphenol With potassium iodide; sodium hydroxide In methanol at 20℃; Stage #2: With sodium hypochlorite In methanol	96%

: 4812-20-8
2-Isopropoxyphenol

: 916228-69-8
4-bromo-2-isopropoxy-phenol

Conditions

Conditions	Yield
With pyridinium hydrobromide perbromide In dichloromethane at 20℃; for 6h;	94%
With bromine In dichloromethane at -70 - -10℃; for 1h;	94%
With bromine In dichloromethane; water at -70 - -10℃; for 4h;

: 4812-20-8
2-Isopropoxyphenol

: 120-80-9
benzene-1,2-diol

Conditions

Conditions	Yield
With aluminium(III) iodide; diisopropyl-carbodiimide In acetonitrile at 80℃; for 18h;	94%
With aluminium(III) iodide; diisopropyl-carbodiimide In acetonitrile at 80℃; for 18h;	94%
With aluminium(III) iodide; calcium oxide In acetonitrile at 80℃; for 18h;	94%

: 4812-20-8
2-Isopropoxyphenol

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

: 4-(4-chlorophenyl)-2-(2-methyl-1-imidazolyl)-5-[3-[2-(2-propyloxy)phenoxy]propyl]oxazole

Conditions

Conditions	Yield
With tributylphosphine; diethylazodicarboxylate In tetrahydrofuran; toluene at 20℃; Mitsunobu reaction;	93%

: 4812-20-8
2-Isopropoxyphenol

: 77858-55-0
5-chloro-6-(thiophen-2-yl)pyrazine-2,3-dicarbonitrile

: 1259925-63-7
5-(2-isopropyloxyphenoxy)-6-(thiophen-2-yl)pyrazine-2,3-dicarbonitrile

Conditions

Conditions	Yield
With triethylamine In acetone at 20℃; for 2h;	89%

: 4812-20-8
2-Isopropoxyphenol

: 96-24-2
3-monochloro-1,2-propanediol

: rac-3-(2-isopropoxyphenoxy)-propane-1,2-diol

Conditions

Conditions	Yield
	88%

: 5460-29-7
2-(3-bromopropyl)isoindole-1,3-dione

: 4812-20-8
2-Isopropoxyphenol

: 748772-62-5
2-[3-(2-isopropoxy-phenoxy)-propyl]-isoindole-1,3-dione

Conditions

Conditions	Yield
With potassium carbonate In DMF (N,N-dimethyl-formamide) at 25 - 80℃; for 18.25h;	87%
With potassium carbonate In N,N-dimethyl-formamide at 80℃; for 18h;	87%

: 4812-20-8
2-Isopropoxyphenol

: 72111-57-0
5-chloropyrazine-2,3-dicarbonitrile

: 1259925-59-1
5-(2-isopropyloxyphenoxy)pyrazine-2,3-dicarbonitrile

Conditions

Conditions	Yield
With triethylamine In acetone at 20℃; for 2h;	86%

: 4812-20-8
2-Isopropoxyphenol

: 350792-40-4
2-hydroxy-3-isopropoxyphenyl bromide

Conditions

Conditions	Yield
With bromine; tert-butylamine In dichloromethane; toluene at -78 - 20℃; for 5h;	85%
With bromine; tert-butylamine In dichloromethane; toluene at -60 - 20℃; for 0.5h;	39%
With bromine; tert-butylamine In toluene at -78 - 18℃; for 14h;

: 60-29-7
diethyl ether

: 6077-70-9, 18129-13-0
ethyl-magnesium tetrahydroborate

: 4812-20-8
2-Isopropoxyphenol

: 862776-00-9
2-isopropoxyphenolato-magnesium tetrahydroborate diethyl ether (1/2)

Conditions

Conditions	Yield
In diethyl ether byproducts: C2H6; all manipulations under anhydrous conditions and under N2 atm.; soln. oforg. compd. added dropwise to stirred soln. of Mg compd.; filtered, washed with Et2O, dried in vac.; elem. anal.;	83.5%

...Expand

: 4812-20-8
2-Isopropoxyphenol

allyl halide: allyl halide

: 186743-35-1
2-isopropoxyallylphenol

Conditions

Conditions	Yield
With potassium carbonate In acetone	79%

: 4812-20-8
2-Isopropoxyphenol

: 60827-45-4
(S)-3-chloropropan-1,2-diol

: (S)-3-(2-isopropoxyphenoxy)-propane-1,2-diol

Conditions

Conditions	Yield
	79%

: 4812-20-8
2-Isopropoxyphenol

: 26690-80-2
2-(N-tert-butoxycarbonylamino)ethanol

: 748772-58-9
[2-(2-isopropoxy-phenoxy)-ethyl]-carbamic acid tert-butyl ester

Conditions

Conditions	Yield
With triphenylphosphine polystyrene; di-tert-butyl-diazodicarboxylate In tetrahydrofuran at 0 - 25℃; for 18h;	78%
With di-tert-butyl-diazodicarboxylate; triphenylphosphine In tetrahydrofuran at 0 - 25℃; for 18h;	78%

: 4812-20-8
2-Isopropoxyphenol

: 106-93-4
ethylene dibromide

: 1262059-05-1
1-(2-bromoethoxy)-2-isopropoxybenzene

Conditions

Conditions	Yield
With potassium carbonate; potassium iodide In acetone at 60℃;	67%
With potassium hydroxide In ethanol for 75h; Reflux;	45%
With potassium carbonate; potassium iodide In acetone Reflux;

: 4812-20-8
2-Isopropoxyphenol

: 109-70-6
1,3-chlorobromopropane

: 117022-42-1
1-(3-chloropropoxy)-2-(1-methylethoxy)benzene

Conditions

Conditions	Yield
With potassium carbonate In acetone for 24h; Heating;	62%
With potassium hydroxide; potassium carbonate In acetone; benzene	232 g (62%)

: 4812-20-8
2-Isopropoxyphenol

: 2-(4-methoxyphenyl)cyclobutan-1-one O-(4-(trifluoromethyl)benzoyl)oxime

: 4-(2-isopropoxyphenoxy)-4-(4-methoxyphenyl)butanenitrile

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine; copper(l) chloride In dichloromethane at 20℃; for 5h; Irradiation; Inert atmosphere;	61%

: 50-00-0
formaldehyd

: 4812-20-8
2-Isopropoxyphenol

: 2-hydroxy-3-isopropoxybenzaldehyde

Conditions

Conditions	Yield
Stage #1: 2-Isopropoxyphenol With triethylamine; magnesium chloride In acetonitrile at 20℃; for 1h; Stage #2: formaldehyd In acetonitrile for 4h; Reflux;	57%
Stage #1: 2-Isopropoxyphenol With triethylamine; magnesium chloride In acetonitrile at 20℃; for 1h; Stage #2: formaldehyd In acetonitrile at 82℃; for 4h;	57%

: 110-78-1
Propyl isocyanate

: 4812-20-8
2-Isopropoxyphenol

: 60309-52-6
Propyl-carbamic acid 2-isopropoxy-phenyl ester

Conditions

Conditions	Yield
With triethylamine

2-Isopropoxyphenol Specification

The 2-Isopropoxyphenol, with the CAS registry number 4812-20-8 and EINECS registry number 225-379-1, has the systematic name of 2-(propan-2-yloxy)phenol. It belongs to the following product categories: Aromatic Phenols; Organic Building Blocks; Oxygen Compounds; Phenols. And the molecular formula of the chemical is C₉H₁₂O₂.

The characteristics of 2-Isopropoxyphenol are as followings: (1)ACD/LogP: 2.07; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.07; (4)ACD/LogD (pH 7.4): 2.06; (5)ACD/BCF (pH 5.5): 21.86; (6)ACD/BCF (pH 7.4): 21.81; (7)ACD/KOC (pH 5.5): 316.66; (8)ACD/KOC (pH 7.4): 315.86; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 18.46 Å²; (13)Index of Refraction: 1.518; (14)Molar Refractivity: 44.03 cm³; (15)Molar Volume: 145.2 cm³; (16)Polarizability: 17.45×10^-24cm³; (17)Surface Tension: 36 dyne/cm; (18)Density: 1.047 g/cm³; (19)Flash Point: 87.9 °C; (20)Enthalpy of Vaporization: 47.46 kJ/mol; (21)Boiling Point: 219.7 °C at 760 mmHg; (22)Vapour Pressure: 0.0798 mmHg at 25°C.

Preparation of 2-Isopropoxyphenol: This chemical can be prepared by 1-isopropoxy-2-methoxy-benzene. This reaction will need reagent Na, and the menstruum hexamethylphosphoric acid triamide. The reaction time is 2 hours with temperature of 100°C, and the yield is about 78%.

Uses of 2-Isopropoxyphenol: It can react with 3-bromo-propyne to produce 1-isopropoxy-2-prop-2-ynyloxy-benzene. The reaction will need reagent K₂CO₃, and the menstruum dimethylformamide. The reaction time is 2.5 hours with temperature of 50°C, and the yield is about 97%.

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

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O(c1ccccc1O)C(C)C
(2)InChI: InChI=1/C9H12O2/c1-7(2)11-9-6-4-3-5-8(9)10/h3-7,10H,1-2H3
(3)InChIKey: ZNCUUYCDKVNVJH-UHFFFAOYAD

Product Name

2-Isopropoxyphenol

Synthetic route

2-Isopropoxyphenol Specification

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