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CAS No.: | 614-82-4 |
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Name: | 2,4-dihydroxyphenylacetic acid |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C8H8O4 |
Molecular Weight: | 168.149 |
Synonyms: | Aceticacid, (2,4-dihydroxyphenyl)- (8CI);2,4-Dihydroxyphenylacetic acid;(2,4-dihydroxyphenyl)acetic acid;benzeneacetic acid, 2,4-dihydroxy-; |
EINECS: | 210-397-4 |
Density: | 1.478 g/cm3 |
Boiling Point: | 419 °C at 760 mmHg |
Flash Point: | 221.4 °C |
PSA: | 77.76000 |
LogP: | 0.72490 |
2-(2,4-bis(benzyloxy)phenyl)acetic acid
(2,4-dihydroxyphenyl)acetic acid
Conditions | Yield |
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With ammonium formate; palladium on activated charcoal In N,N-dimethyl-formamide for 0.5h; Ambient temperature; | 99% |
2-(2-bromo-4-hydroxyphenyl)acetic acid
(2,4-dihydroxyphenyl)acetic acid
Conditions | Yield |
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With copper 8-hydroxyquinolinate; sodium hydroxide | 83% |
With bis(8-hydroxyquinolato)copper(II); sodium hydroxide at 110℃; for 6h; Concentration; Temperature; Reagent/catalyst; | 81% |
Conditions | Yield |
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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 |
(2,4-dihydroxyphenyl)acetic acid
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: tin(II) chloride dihdyrate; hydrogenchloride / water 2: sodium hydroxide; copper 8-hydroxyquinolinate View Scheme |
Conditions | Yield |
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With iodine; dimethyl sulfoxide at 120℃; for 28h; Sealed tube; Green chemistry; | 83% |
Conditions | Yield |
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With acetic anhydride; triethylamine at 110℃; for 6h; Green chemistry; | 75% |
Conditions | Yield |
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With acetic anhydride; triethylamine at 110℃; for 6h; Green chemistry; | 75% |
Conditions | Yield |
---|---|
With acetic anhydride; triethylamine at 110℃; for 6h; Green chemistry; | 70% |
Conditions | Yield |
---|---|
With acetic anhydride; triethylamine at 110℃; for 6h; Green chemistry; | 68% |
Conditions | Yield |
---|---|
With acetic anhydride; triethylamine at 110℃; for 6h; Green chemistry; | 66% |
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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