Benzeneacetic acid,4-hydroxy-a-methyl- supplier

Name
2-(4-HYDROXYPHENYL)PROPIONIC ACID
EINECS 213-352-7
CAS No. 938-96-5
Article Data18
CAS DataBase
Density 1.253 g/cm³
Solubility
Melting Point 131.6 °C
Formula C₉H₁₀O₃
Boiling Point 328.3 °C at 760 mmHg
Molecular Weight 166.177
Flash Point 166.5 °C
Transport Information
Appearance white to slightly beige cryst. powder or chunks
Safety 37/39-26
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Hydratropicacid, p-hydroxy- (6CI,7CI,8CI);2-(4-Hydroxyphenyl)propanoic acid;2-(4-Hydroxyphenyl)propionic acid;2-(p-Hydroxyphenyl)-propionic acid;Methyl4-hydroxyphenylacetic acid;
PSA 57.53000
LogP 1.58030

Synthetic route

: 942-54-1
2-(4-methoxyphenyl)propanoic acid

: 938-96-5
2-(4-Hydroxy-phenyl)-propionic acid

Conditions

Conditions	Yield
With boron tribromide In dichloromethane at 20℃; for 2.5h;	90%
With hydrogen bromide for 15h; Heating;

: 6420-90-2
2-(4-hydroxyphenyl)-1-phenylethan-1-one

: 938-96-5
2-(4-Hydroxy-phenyl)-propionic acid

Conditions

Conditions	Yield
With sodium hydroxide In N-methyl-acetamide; methanol; hexane; water; ethyl acetate; toluene	82.4%

: 156-38-7
4-hydroxyphenylacetate

: 938-96-5
2-(4-Hydroxy-phenyl)-propionic acid

Conditions

Conditions	Yield
With sulfuric acid In methanol; silica gel; toluene	80%

α-<4-methoxy-phenyl>-propionic acid: α-<4-methoxy-phenyl>-propionic acid

: 938-96-5
2-(4-Hydroxy-phenyl)-propionic acid

Conditions

Conditions	Yield
With phosphorus; hydrogen iodide; iodine

hydrochloride of/the/ 4-amino-hydratropic acid: hydrochloride of/the/ 4-amino-hydratropic acid

: 938-96-5
2-(4-Hydroxy-phenyl)-propionic acid

Conditions

Conditions	Yield
With potassium nitrite

: 21850-61-3
2-(4-hydroxyphenyl)propanenitrile

: 938-96-5
2-(4-Hydroxy-phenyl)-propionic acid

Conditions

Conditions	Yield
With sodium hydroxide for 5h; Heating;

: 93453-79-3
1-(4-hydroxyphenyl)ethanol

: 938-96-5
2-(4-Hydroxy-phenyl)-propionic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: dimethylformamide / 6 h / 130 °C 2: aq. NaOH / 5 h / Heating View Scheme

: 100-06-1
1-(4-methoxyphenyl)ethanone

: 938-96-5
2-(4-Hydroxy-phenyl)-propionic acid

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: aq. HBr; acetic acid / Heating 2: KBH4; KOH / methanol / Heating 3: dimethylformamide / 6 h / 130 °C 4: aq. NaOH / 5 h / Heating View Scheme

: 99-93-4
4-Hydroxyacetophenone

ethynylmagnesium halide: ethynylmagnesium halide

: 938-96-5
2-(4-Hydroxy-phenyl)-propionic acid

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: KBH4; KOH / methanol / Heating 2: dimethylformamide / 6 h / 130 °C 3: aq. NaOH / 5 h / Heating View Scheme

: 124-38-9
carbon dioxide

: 14140-15-9
4-(2-bromoethyl)phenol

A: 938-96-5
2-(4-Hydroxy-phenyl)-propionic acid

B: 501-97-3
4-hydroxyphenylpropionic acid

Conditions

Conditions	Yield
With neocuproine; diethyl 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate; (4s,6s)-2,4,5,6-tetra(9H-carbazol-9-yl)isophthalonitrile; potassium carbonate In N,N-dimethyl-formamide at 25℃; under 750.075 Torr; Irradiation; Overall yield = 70 %; Overall yield = 23.1 mg;

...Expand

: 501-94-0
p-hydroxyphenethyl alcohol

A: 938-96-5
2-(4-Hydroxy-phenyl)-propionic acid

B: 501-97-3
4-hydroxyphenylpropionic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: carbon tetrabromide; triphenylphosphine / dichloromethane; diethyl ether / 0 - 20 °C 2: potassium carbonate; diethyl 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate; (4s,6s)-2,4,5,6-tetra(9H-carbazol-9-yl)isophthalonitrile; neocuproine / N,N-dimethyl-formamide / 25 °C / 750.08 Torr / Irradiation View Scheme

: 67-56-1
methanol

: 938-96-5
2-(4-Hydroxy-phenyl)-propionic acid

: 65784-33-0
methyl 2-(4-hydroxyphenyl)propanoate

Conditions

Conditions	Yield
With thionyl chloride at 0℃; for 3.5h; Inert atmosphere;	100%
With sulfuric acid Heating;	99%
With toluene-4-sulfonic acid for 14h; Reflux;	55%

: 938-96-5
2-(4-Hydroxy-phenyl)-propionic acid

: 138460-07-8
3,5-Diiodo-4-hydroxyphenylpropionic acid

Conditions

Conditions	Yield
With iodine; potassium iodide	88%

: 938-96-5
2-(4-Hydroxy-phenyl)-propionic acid

: 65784-32-9, 73933-14-9, 90103-59-6
3-Nitro-4-hydroxyphenyl-α-methylacetic acid

Conditions

Conditions	Yield
With nitric acid In water; acetic acid at 20℃; for 1h;	86.9%
With nitric acid; acetic acid

: 938-96-5
2-(4-Hydroxy-phenyl)-propionic acid

: 55689-52-6
(±)-4-(1-hydroxypropan-2-yl)phenol

Conditions

Conditions	Yield
With borane-THF In tetrahydrofuran at 20℃; for 20h; Inert atmosphere;	84%

: 938-96-5
2-(4-Hydroxy-phenyl)-propionic acid

: 98-88-4
benzoyl chloride

: C16H14O4

Conditions

Conditions	Yield
With sodium hydroxide at 20℃; for 1.5h;	83%

: 938-96-5
2-(4-Hydroxy-phenyl)-propionic acid

: 108-46-3
recorcinol

: 21255-69-6
O-desmethylangolensin

Conditions

Conditions	Yield
With boron trifluoride diethyl etherate In N,N-dimethyl-formamide at 120℃; for 0.166667h; Friedel-Crafts reaction;	81%
With bis(trifluoromethanesulfonyl)amide In various solvent(s) at 90℃; for 0.0666667h; Friedel-Crafts reaction; microwave irradiation;	55%

: 938-96-5
2-(4-Hydroxy-phenyl)-propionic acid

: 79-03-8
propionyl chloride

: C12H14O4

Conditions

Conditions	Yield
With sodium hydroxide at 20℃; for 1.5h;	75%

: 938-96-5
2-(4-Hydroxy-phenyl)-propionic acid

: 87-66-1
2-hydroxyresorcinol

: 1173910-03-6
1-(2,3,4-dihydroxyphenyl)-2-(4'-hydroxyphenyl)-1-propanone

Conditions

Conditions	Yield
With boron trifluoride diethyl etherate In N,N-dimethyl-formamide at 120℃; for 0.166667h; Friedel-Crafts reaction;	72%

: 67-56-1
methanol

: 2969-81-5
4-bromoethylbutanoate

: 938-96-5
2-(4-Hydroxy-phenyl)-propionic acid

: 1133001-39-4
2-(4-(4-methoxy-4-oxobutoxy)phenyl)propanoic acid

Conditions

Conditions	Yield
With sodium methylate at 20 - 50℃;	67%

...Expand

: 824-46-4
methoxyhydroquinone

: 938-96-5
2-(4-Hydroxy-phenyl)-propionic acid

: 1173912-13-4
1-(2,5-dihydroxy-4-methoxyphenyl)-2-(4'-hydroxyphenyl)-1-propanone

Conditions

Conditions	Yield
With boron trifluoride diethyl etherate In N,N-dimethyl-formamide at 120℃; for 0.166667h; Friedel-Crafts reaction;	23%

: 938-96-5
2-(4-Hydroxy-phenyl)-propionic acid

: 2-(4-Hydroxy-phenyl)-propionamide

Conditions

Conditions	Yield
(i) EtOH, H2SO4, (ii) aq. NH3; Multistep reaction;

: 938-96-5
2-(4-Hydroxy-phenyl)-propionic acid

A: (2RS)-6-O-<2-(4-hydroxyphenyl)propionyl>-D-glucose

B: (2RS)-β-D-fructofuranosyl 6-O-<2-(4-hydroxyphenyl)propionyl>-α-D-glucopyranoside

C: (2RS)-2-(4-O-β-D-glucopyranosylphenyl)propionic acid

Conditions

Conditions	Yield
In ethanol; water for 72h; in a suspension cell culture of Coffea arabica;	A 7.6 mg B 17.0 mg C 2.1 mg
In ethanol; water for 72h; in a suspension cell culture of Coffea arabica;	A 17.0 mg B 7.6 mg C 2.1 mg

...Expand

: 56-23-5
tetrachloromethane

: 74-96-4
ethyl bromide

: 64-17-5
ethanol

: 938-96-5
2-(4-Hydroxy-phenyl)-propionic acid

α-<4-ethoxy-phenyl>-propionic acid: α-<4-ethoxy-phenyl>-propionic acid

Conditions

Conditions	Yield
at 115 - 120℃;

...Expand

: 938-96-5
2-(4-Hydroxy-phenyl)-propionic acid

: 946073-01-4
methyl 2-{4-[(methylsulfonyl)oxy]phenyl}propanoate

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 51.6 g / H2SO4 / 20 °C 2: 71 percent / pyridine / 24 h / Heating View Scheme

: 938-96-5
2-(4-Hydroxy-phenyl)-propionic acid

: C10H12O5S

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: 51.6 g / H2SO4 / 20 °C 2: 71 percent / pyridine / 24 h / Heating 3: 95 percent / aq. HCl; AcOH / Heating View Scheme

: 938-96-5
2-(4-Hydroxy-phenyl)-propionic acid

: C13H18O5S

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 51.6 g / H2SO4 / 20 °C 2: pyridine / 24 h / Heating View Scheme

: 938-96-5
2-(4-Hydroxy-phenyl)-propionic acid

: C12H16O5S

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: 51.6 g / H2SO4 / 20 °C 2: pyridine / 24 h / Heating 3: 3.76 g / aq. HCl; AcOH / Heating View Scheme

: 938-96-5
2-(4-Hydroxy-phenyl)-propionic acid

: C16H16O5S

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 51.6 g / H2SO4 / 20 °C 2: pyridine / 24 h / Heating View Scheme

: 938-96-5
2-(4-Hydroxy-phenyl)-propionic acid

: C15H14O5S

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: 51.6 g / H2SO4 / 20 °C 2: pyridine / 24 h / Heating 3: 4.74 g / aq. HCl; AcOH / Heating View Scheme

: 938-96-5
2-(4-Hydroxy-phenyl)-propionic acid

: methyl 2-(4-(tosyloxy)phenyl)propanoate

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 51.6 g / H2SO4 / 20 °C 2: pyridine / 24 h / Heating View Scheme

: 938-96-5
2-(4-Hydroxy-phenyl)-propionic acid

: C16H16O5S

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: 51.6 g / H2SO4 / 20 °C 2: pyridine / 24 h / Heating 3: 4.72 g / aq. HCl; AcOH / Heating View Scheme

: 938-96-5
2-(4-Hydroxy-phenyl)-propionic acid

: 857903-64-1
methyl 2-{4-[(7-chloro-2-quinoxalinyl)oxy]phenyl}propionate

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 99 percent / H2SO4 / Heating 2: 96 percent / K2CO3 / acetonitrile / 4 h / Heating View Scheme

Benzeneacetic acid,4-hydroxy-a-methyl- Specification

The Benzeneacetic acid,4-hydroxy-a-methyl-, with the CAS registry number 938-96-5, is also known as 4-Hydroxyhydratropate. It belongs to the product category of Aromatic Propionic Acids. Its EINECS registry number is 213-352-7. This chemical's molecular formula is C₉H₁₀O₃ and molecular weight is 166.1739. Its IUPAC name is called 2-(4-hydroxyphenyl)propanoic acid. The product should be sealed and stored in cool and dry place. What's more, it should be protected from strong oxides.

Physical properties of Benzeneacetic acid,4-hydroxy-a-methyl-: (1)ACD/LogP: 1.12; (2)ACD/LogD (pH 5.5): 0.07; (3)ACD/LogD (pH 7.4): -1.74; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 8.59; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.576; (12)Molar Refractivity: 43.88 cm³; (13)Molar Volume: 132.5 cm³; (14)Surface Tension: 53.8 dyne/cm; (15)Density: 1.253 g/cm³; (16)Flash Point: 166.5 °C; (17)Enthalpy of Vaporization: 60.24 kJ/mol; (18)Boiling Point: 328.3 °C at 760 mmHg; (19)Vapour Pressure: 7.73E-05 mmHg at 25°C.

Uses of Benzeneacetic acid,4-hydroxy-a-methyl-: it can be used to produce 4-hydroxy-3,5-diiodo-a-methylphenylacetic acid. This reaction will need reagent I₂ and KI. The yield is about 88%.

Benzeneacetic acid,4-hydroxy-a-methyl- can be used to produce 4-hydroxy-3,5-diiodo-a-methylphenylacetic acid

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C1=CC=C(C=C1)O)C(=O)O
(2)InChI: InChI=1S/C9H10O3/c1-6(9(11)12)7-2-4-8(10)5-3-7/h2-6,10H,1H3,(H,11,12)
(3)InChIKey: ZHMMPVANGNPCBW-UHFFFAOYSA-N

Product Name

2-(4-HYDROXYPHENYL)PROPIONIC ACID

Synthetic route

Benzeneacetic acid,4-hydroxy-a-methyl- Specification

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