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Benzeneacetic acid,2,4-dihydroxy-

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Name

Benzeneacetic acid,2,4-dihydroxy-

EINECS 210-397-4
CAS No. 614-82-4 Density 1.478 g/cm3
PSA 77.76000 LogP 0.72490
Solubility N/A Melting Point N/A
Formula C8H8O4 Boiling Point 419 °C at 760 mmHg
Molecular Weight 168.149 Flash Point 221.4 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 614-82-4 (2,4-dihydroxyphenylacetic acid) Hazard Symbols N/A
Synonyms

Aceticacid, (2,4-dihydroxyphenyl)- (8CI);2,4-Dihydroxyphenylacetic acid;(2,4-dihydroxyphenyl)acetic acid;benzeneacetic acid, 2,4-dihydroxy-;

Article Data 3

Benzeneacetic acid,2,4-dihydroxy- Synthetic route

66056-40-4

2-(2,4-bis(benzyloxy)phenyl)acetic acid

614-82-4

(2,4-dihydroxyphenyl)acetic acid

Conditions
ConditionsYield
With ammonium formate; palladium on activated charcoal In N,N-dimethyl-formamide for 0.5h; Ambient temperature;99%
88491-44-5

2-(2-bromo-4-hydroxyphenyl)acetic acid

614-82-4

(2,4-dihydroxyphenyl)acetic acid

Conditions
ConditionsYield
With copper 8-hydroxyquinolinate; sodium hydroxide83%
With bis(8-hydroxyquinolato)copper(II); sodium hydroxide at 110℃; for 6h; Concentration; Temperature; Reagent/catalyst;81%
591-20-8

3-Bromophenol

614-82-4

(2,4-dihydroxyphenyl)acetic acid

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: sodium hydroxide / water / 8 h / 40 °C
2: tin(II) chloride dihdyrate; hydrogenchloride / 3 h / 80 °C
3: bis(8-hydroxyquinolato)copper(II); sodium hydroxide / 6 h / 110 °C
View Scheme
Multi-step reaction with 3 steps
1: sodium hydroxide
2: tin(II) chloride dihdyrate; hydrogenchloride / water
3: sodium hydroxide; copper 8-hydroxyquinolinate
View Scheme

2-(2-bromo-4-hydroxyphenyl)-2-hydroxyacetic acid

614-82-4

(2,4-dihydroxyphenyl)acetic acid

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: tin(II) chloride dihdyrate; hydrogenchloride / water
2: sodium hydroxide; copper 8-hydroxyquinolinate
View Scheme
614-82-4

(2,4-dihydroxyphenyl)acetic acid

89-86-1

4-hydroxysalicylic acid

Conditions
ConditionsYield
With iodine; dimethyl sulfoxide at 120℃; for 28h; Sealed tube; Green chemistry;83%
123-11-5

4-methoxy-benzaldehyde

614-82-4

(2,4-dihydroxyphenyl)acetic acid

6-hydroxy-3-[(4-methoxyphenyl)methylene]benzo[b]furan-2-one

Conditions
ConditionsYield
With acetic anhydride; triethylamine at 110℃; for 6h; Green chemistry;75%
123-08-0

4-hydroxy-benzaldehyde

614-82-4

(2,4-dihydroxyphenyl)acetic acid

6-hydroxy-3-[(4-hydroxyphenyl)methylene]benzo[b]furan-2-one

Conditions
ConditionsYield
With acetic anhydride; triethylamine at 110℃; for 6h; Green chemistry;75%
120-14-9

3,4-dimethoxy-benzaldehyde

614-82-4

(2,4-dihydroxyphenyl)acetic acid

6-hydroxy-3-[(3,4-dimethoxyphenyl)methylene]benzo[b]furan-2-one

Conditions
ConditionsYield
With acetic anhydride; triethylamine at 110℃; for 6h; Green chemistry;70%
86-81-7

3,4,5-trimethoxy-benzaldehyde

614-82-4

(2,4-dihydroxyphenyl)acetic acid

6-hydroxy-3-[(3,4,5-trimethoxyphenyl)methylene]benzo[b]furan-2-one

Conditions
ConditionsYield
With acetic anhydride; triethylamine at 110℃; for 6h; Green chemistry;68%
7311-34-4

3,5-dimethoxybenzaldehdye

614-82-4

(2,4-dihydroxyphenyl)acetic acid

6-hydroxy-3-[(3,5-dimethoxyphenyl)methylene]benzo[b]furan-2-one

Conditions
ConditionsYield
With acetic anhydride; triethylamine at 110℃; for 6h; Green chemistry;66%

Benzeneacetic acid,2,4-dihydroxy- Specification

The Benzeneacetic acid,2,4-dihydroxy-, with the CAS registry number 614-82-4 and EINECS registry number 210-397-4, has the systematic name of (2,4-dihydroxyphenyl)acetic acid. And the molecular formula of this chemical is C8H8O4. It is a kind of organics, and should be stored in the dry and cool environment.

The physical properties of Benzeneacetic acid,2,4-dihydroxy- are as following: (1)ACD/LogP: 0.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.27; (4)ACD/LogD (pH 7.4): -3.05; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.2; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 44.76 Å2; (13)Index of Refraction: 1.642; (14)Molar Refractivity: 41.12 cm3; (15)Molar Volume: 113.7 cm3; (16)Polarizability: 16.3×10-24cm3; (17)Surface Tension: 75.8 dyne/cm; (18)Density: 1.478 g/cm3; (19)Flash Point: 221.4 °C; (20)Enthalpy of Vaporization: 70.92 kJ/mol; (21)Boiling Point: 419 °C at 760 mmHg; (22)Vapour Pressure: 9.04E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)Cc1ccc(O)cc1O
(2)InChI: InChI=1/C8H8O4/c9-6-2-1-5(3-8(11)12)7(10)4-6/h1-2,4,9-10H,3H2,(H,11,12)
(3)InChIKey: FSQDURCMBCGCIK-UHFFFAOYAX

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