2-Hydroxyterephthalic acid supplier

Name
2-hydroxyterephthalic acid
EINECS
CAS No. 636-94-2
Article Data146
CAS DataBase
Density 1.613 g/cm³
Solubility
Melting Point 312-317℃
Formula C₈H₆O₅
Boiling Point 436.932 °C at 760 mmHg
Molecular Weight 182.133
Flash Point 232.186 °C
Transport Information
Appearance
Safety 26
Risk Codes 22-36/37/38
Molecular Structure
Hazard Symbols Xn
Synonyms Terephthalicacid, hydroxy- (6CI,7CI,8CI);2-Hydroxy-1,4-benzenedicarboxylic acid;2-Hydroxyterephthalic acid;3-Hydroxy-1,4-benzenedicarboxylic acid;Hydroxyterephthalic acid;Monohydroxyterephthalic acid;NSC 109098;
PSA 94.83000
LogP 0.78860

Synthetic route

: 13731-82-3
2,5-dibromoterephtalic acid

A: 636-94-2
2-hydroxyterephthalic acid

B: 610-92-4
2,5-dihydroxy-1,4-benzenedicarboxylic acid

Conditions

Conditions	Yield
Stage #1: 2,5-dibromoterephtalic acid With sodium carbonate In water for 1h; Heating / reflux; Stage #2: With water; 2,2,6,6-tetramethylheptane-3,5-dione; copper(I) bromide at 80℃; for 30h; Stage #3: With hydrogenchloride In water at 25℃;	A n/a B 92%

: 586-35-6
2-bromo-1,4-benzenedicarboxylic acid

: 636-94-2
2-hydroxyterephthalic acid

Conditions

Conditions	Yield
With sodium hydroxide; sodium acetate; copper In water for 72h; Heating;	99%
With sodium hydroxide; sodium acetate; copper In water for 80h; Heating;	99%
With sodium acetate; copper; sodium hydroxide In water for 72h; Reflux;	99%

: 10312-55-7
3-aminoterephthalic acid

: 636-94-2
2-hydroxyterephthalic acid

Conditions

Conditions	Yield
Stage #1: 3-aminoterephthalic acid With sodium hydroxide In water Stage #2: With hydrogenchloride; sodium nitrite In water at 10 - 15℃; Stage #3: With water; copper(II) sulfate at 15 - 85℃; for 12h;	85%
With potassium nitrite; sulfuric acid Diazotization;
Stage #1: 3-aminoterephthalic acid With hydrogenchloride; sodium hydroxide; sodium nitrite In water at 10℃; for 4h; Stage #2: With copper(II) sulfate at 85℃; for 12h;

: 100-21-0
terephthalic acid

: 636-94-2
2-hydroxyterephthalic acid

Conditions

Conditions	Yield
With photocatalytic titania-coated hollow glass microspheres In water Irradiation;	35%
With sodium phosphate buffer; dihydrogen peroxide; copper(II) sulfate In water Kinetics; Further Variations:; Reagents; OH radical generation without/with irradiation; Oxidation;
Multi-step reaction with 3 steps 1: HNO3+H2SO4 2: tin; hydrochloric acid 3: potassium nitrite; sulfuric acid / Diazotization View Scheme

: 100-21-0
terephthalic acid

: 1310-73-2
sodium hydroxide

: 636-94-2
2-hydroxyterephthalic acid

Conditions

Conditions	Yield
With Fe3O4/C/ZnO core-shell composite; CR dye In water for 0.166667h; Irradiation;
With zinc(II) oxide In water Reagent/catalyst; UV-irradiation;

: 1,2-dihydroxycyclohexa-3,5-diene-1,4-dicarboxylic acid

: 636-94-2
2-hydroxyterephthalic acid

Conditions

Conditions	Yield
In sodium hydroxide; sulfuric acid

: 124-38-9
carbon dioxide

: 98-17-9
3-Trifluoromethylphenol

: 636-94-2
2-hydroxyterephthalic acid

Conditions

Conditions	Yield
With potassium carbonate at 300℃;

: 5372-81-6
dimethyl aminoterephthalate

: 636-94-2
2-hydroxyterephthalic acid

Conditions

Conditions	Yield
Stage #1: dimethyl aminoterephthalate With sulfuric acid; sodium nitrite at 0℃; for 0.5h; Stage #2: With sulfuric acid at 120℃; for 0.333333h; Sandmeyer reaction; Further stages.;	66.5%

: 328-90-5
4-trifluoromethylsalicylic acid

: 636-94-2
2-hydroxyterephthalic acid

Conditions

Conditions	Yield
With sulfuric acid
In various solvent(s) Irradiation;

: 98-17-9
3-Trifluoromethylphenol

: 636-94-2
2-hydroxyterephthalic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: K2CO3 2: H2SO4 View Scheme

: 95-57-8
2-monochlorophenol

A: 1724-02-3
glutaconic acid

B: 583-63-1
ortoquinone

C: 636-94-2
2-hydroxyterephthalic acid

D: 144-62-7
oxalic acid

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

F: 110-16-7
maleic acid

G: 108-95-2
phenol

Conditions

Conditions	Yield
With sodium sulfate at 30℃; Kinetics; Reagent/catalyst; Electrolysis;

...Expand

: 100-21-0
terephthalic acid

A: 636-94-2
2-hydroxyterephthalic acid

B: 99-96-7
4-hydroxy-benzoic acid

Conditions

Conditions	Yield
With titanium(IV) dioxide Kinetics; Reagent/catalyst; UV-irradiation;

: 99-94-5
p-Toluic acid

: 636-94-2
2-hydroxyterephthalic acid

Conditions

Conditions	Yield
With phosphorus pentaoxide; sulfuric acid at 250℃; im Rohr; durch Verschmelzen des Reaktionsprodukts mit Kaliumhydroxyd;

2-hydroxy-4-hydroxymethyl-benzaldehyde: 2-hydroxy-4-hydroxymethyl-benzaldehyde

: 636-94-2
2-hydroxyterephthalic acid

Conditions

Conditions	Yield
With potassium hydroxide at 220℃;

: 5333-40-4
2-isopropyl-5-methylphenoxyacetic acid

A: 636-94-2
2-hydroxyterephthalic acid

B: 99-06-9
3-Carboxyphenol

Conditions

Conditions	Yield
With sodium hydroxide at 240 - 250℃;

: 95-87-4
2,5-Dimethylphenol

A: 636-94-2
2-hydroxyterephthalic acid

B: 50-85-1
2-hydroxy-p-toluic acid

Conditions

Conditions	Yield
With potassium carbonate beim Schmelzen;
With potassium hydroxide

: 5156-00-3
2-methoxyterephthalic acid

: 636-94-2
2-hydroxyterephthalic acid

Conditions

Conditions	Yield
With hydrogenchloride unter Druck;
With potassium carbonate durch Schmelzen;

: 6520-87-2
methyl 4-cyano-3-hydroxybenzoate

: 636-94-2
2-hydroxyterephthalic acid

Conditions

Conditions	Yield
With sulfuric acid

: 74744-72-2
hydroxy-terephthalic acid diethyl ester

: 636-94-2
2-hydroxyterephthalic acid

Conditions

Conditions	Yield
With alkaline solution

: 610-29-7
2-nitroterephthalic acid

: 636-94-2
2-hydroxyterephthalic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: tin; hydrochloric acid 2: potassium nitrite; sulfuric acid / Diazotization View Scheme

: 7697-26-9
3-bromo-4-methylbenzoic acid

: 636-94-2
2-hydroxyterephthalic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: permanganate 2: sodium hydroxide View Scheme

: 81245-24-1
methyl 4-methyl-2-methoxybenzoate

: 636-94-2
2-hydroxyterephthalic acid

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: alcoholic potash 2: KMnO4; diluted alkali 3: potash / durch Schmelzen View Scheme

: 704-45-0
2-methoxy-4-methylbenzoic acid

: 636-94-2
2-hydroxyterephthalic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: KMnO4; diluted alkali 2: potash / durch Schmelzen View Scheme

oxyterephthalic acid monoethyl ester: oxyterephthalic acid monoethyl ester

: 636-94-2
2-hydroxyterephthalic acid

: 14684-01-6
congo red

: 636-94-2
2-hydroxyterephthalic acid

Conditions

Conditions	Yield
With cadmium ferrite; water at 100℃; for 0.166667h; pH=7; Kinetics; Catalytic behavior; pH-value; Microwave irradiation;

4-methyl-benzoic acid sulfamide-(3): 4-methyl-benzoic acid sulfamide-(3)

A: 586-30-1
3-hydroxy-4-methylbenzoic acid

B: 636-94-2
2-hydroxyterephthalic acid

Conditions

Conditions	Yield
bei der Kalischmelze;

: 89-83-8
thymol

A: 636-94-2
2-hydroxyterephthalic acid

B 3-oxy-benzoic acid ; 3-oxy-4-isopropyl-benzoic acid: 3-oxy-benzoic acid ; 3-oxy-4-isopropyl-benzoic acid

Conditions

Conditions	Yield
bei der Kalischmelze;

: 499-75-2
carvacrol

A: 636-94-2
2-hydroxyterephthalic acid

B: 20154-41-0
4-isopropyl-2-hydroxybenzoic acid

: 7647-01-0
hydrogenchloride

: 5156-00-3
2-methoxyterephthalic acid

: 636-94-2
2-hydroxyterephthalic acid

Conditions

Conditions	Yield
at 160℃;

: 5333-40-4
2-isopropyl-5-methylphenoxyacetic acid

alkali: alkali

A: 636-94-2
2-hydroxyterephthalic acid

B: 19420-59-8
3-hydroxy-4-isopropyl-benzoic acid

C: 99-06-9
3-Carboxyphenol

Conditions

Conditions	Yield
at 240 - 250℃;

...Expand

: 636-94-2
2-hydroxyterephthalic acid

: 7732-18-5
water

: 10026-11-6
zirconium(IV) chloride

: 64-19-7
acetic acid

: 5.6C8H4O5(2-)*4HO(1-)*4O(2-)*6Zr(4+)*0.8C2H3O2(1-)

Conditions

Conditions	Yield
In N,N-dimethyl-formamide at 120℃; for 24h; Reagent/catalyst;	99%

...Expand

: 636-94-2
2-hydroxyterephthalic acid

: (3S,4S)-N3,N4-bis(((1S,2R)-2-phenylcyclopropyl)carbamoyl)pyrrolidine-3,4-dicarboxamide hydrochloride

: (3S,3’S,4S,4’S)-1,1’-(2-hydroxyterephthaloyl)-bis(N3,N4-bis((1S,2R)-2-phenylcyclopropyl)pyrrolidine-3,4-dicarboxamide)

Conditions

Conditions	Yield
With benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 23℃; for 18h;	98%

: 636-94-2
2-hydroxyterephthalic acid

: 2-hydroxyterephthaloyl dichloride

Conditions

Conditions	Yield
With thionyl chloride; N,N-dimethyl-formamide at 90℃; for 48h; Inert atmosphere;	97%
With thionyl chloride
With thionyl chloride; N,N-dimethyl-formamide for 3h; Heating;
With thionyl chloride; N,N-dimethyl-formamide In dichloromethane at 20 - 45℃; Inert atmosphere;

: 67-56-1
methanol

: 636-94-2
2-hydroxyterephthalic acid

: 6342-72-9
dimethyl hydroxyterephthalate

Conditions

Conditions	Yield
With sulfuric acid for 18h; Reflux;	95%
With thionyl chloride for 21h; Concentration; Reflux;	94.16%
With thionyl chloride at 0 - 85℃; for 2.5h; Inert atmosphere;	90%

: lead(II) nitrate

: 636-94-2
2-hydroxyterephthalic acid

: 552843-44-4
2-(2-carboxylphenyl)-imidazo[4,5-f ]-1,10-phenanthroline

: [Pb2(2-(2-carboxyphenyl)imidazo(4,5-f )-(1,10)phenanthroline)2(2-hydroxy-1,4-benzenedicarboxylic acid)]n

Conditions

Conditions	Yield
With sodium hydroxide In water at 169.84℃; for 72h; pH=8; Autoclave;	90%

...Expand

: 61-82-5
3(5)-amino-1,2,4-triazole

: 636-94-2
2-hydroxyterephthalic acid

: 6147-53-1
cobalt(II) diacetate tetrahydrate

: 10025-82-8
indium(III) chloride

: [In3O(hbdc)3][Co2(atrz)3(H2O)4Cl2]

Conditions

Conditions	Yield
With hydrogenchloride In water; N,N-dimethyl-formamide at 100℃; for 96h; Sealed tube;	87%

...Expand

: 636-94-2
2-hydroxyterephthalic acid

: (3S,4S)-N3,N4-bis(4-fluorophenethyl)pyrrolidine-3,4-dicarboxamide hydrochloride

: (3S,3’S,4S,4’S)-1,1’-(2-hydroxyterephthaloyl)-bis(N3,N4-bis(4-fluorophenethyl)pyrrolidine-3,4-dicarboxamide)

Conditions

Conditions	Yield
With benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 23℃;	87%

: 288-88-0
1,2,4-Triazole

: iron(III) chloride hexahydrate

: 636-94-2
2-hydroxyterephthalic acid

: [Fe3O(hbdc)3][Fe2(trz)3(H2O)4Cl2]

Conditions

Conditions	Yield
With trifluoroacetic acid In N,N-dimethyl-formamide at 150℃; for 24h; Reagent/catalyst; Autoclave;	85%

...Expand

: 288-88-0
1,2,4-Triazole

: 636-94-2
2-hydroxyterephthalic acid

: 6147-53-1
cobalt(II) diacetate tetrahydrate

: 10025-82-8
indium(III) chloride

: [In3O(bdc)3][Co2(datrz)3(H2O)4Cl2]

Conditions

Conditions	Yield
In water; N,N-dimethyl-formamide at 120℃; for 48h; Sealed tube;	84%

...Expand

: 288-88-0
1,2,4-Triazole

: iron(III) chloride hexahydrate

: 636-94-2
2-hydroxyterephthalic acid

: 16674-78-5
magnesium(II) acetate tetrahydrate

: [Fe3O(hbdc)3][Mg2(trz)3(H2O)4Cl2]

Conditions

Conditions	Yield
With trifluoroacetic acid In N,N-dimethyl-formamide at 150℃; for 24h; Autoclave;	83%

...Expand

: 617-84-5
N-formyldiethylamine

: copper nitrate hemi(pentahydrate)

: 636-94-2
2-hydroxyterephthalic acid

: (2-hydroxybenzene-1,4-dicarboxylate)aquacopper(II) - diethylformamide (2/1)

Conditions

Conditions	Yield
In ethanol High Pressure; Cu salt amd ligand (1.2:1) dissolved in DEF/EtOH (8:3 v/v), sealed, heated at 65°C for 24 h; washed (EtOH) several times;	81.1%

...Expand

: 1,3,5-tris(1-imidazolyl)benzene

: zinc(II) sulfate heptahydrate

: 636-94-2
2-hydroxyterephthalic acid

: 2C8H5O5(1-)*2C15H12N6*C8H4O5(2-)*2H2O*2Zn(2+)

Conditions

Conditions	Yield
In N,N-dimethyl-formamide at 85℃; for 72h; Autoclave; High pressure;	78%

...Expand

: 636-94-2
2-hydroxyterephthalic acid

: 107-07-3
2-chloro-ethanol

: 111822-80-1
2-(2'-hydroxyethoxy)terephthalic acid

Conditions

Conditions	Yield
With sodium hydroxide In water for 48h; Ambient temperature;	76%

: aluminum(III) nitrate nonahydrate

: 636-94-2
2-hydroxyterephthalic acid

: Al(3+)*HO(1-)*C8H4O5(2-)

Conditions

Conditions	Yield
In water; N,N-dimethyl-formamide at 90℃; for 36h;	76%

: 1,3,5-tris(1-imidazolyl)benzene

: 739319-89-2
cadmium(II) carbonate

: 636-94-2
2-hydroxyterephthalic acid

: 7732-18-5
water

: [Cd(1,3,5-tris(1-imidazolyl)benzene)(2-OH-1,4-benzenedicarboxylate)]*H2O

Conditions

Conditions	Yield
In N,N-dimethyl acetamide at 85℃; for 72h; Autoclave;	75%

...Expand

: 288-88-0
1,2,4-Triazole

: iron(III) chloride hexahydrate

: nickel(II) nitrate hexahydrate

: 636-94-2
2-hydroxyterephthalic acid

: [Fe3O(hbdc)3][Ni2(trz)3(H2O)4Cl2]

Conditions

Conditions	Yield
With trifluoroacetic acid In N,N-dimethyl-formamide at 150℃; for 24h; Reagent/catalyst; Autoclave;	75%

...Expand

: 636-94-2
2-hydroxyterephthalic acid

: C14H19BBrClN2O4

: C22H21BBrClN2O7

Conditions

Conditions	Yield
In tert-butyl methyl ether at 20℃;	73.2%

: 546-68-9
titanium(IV) isopropylate

: zinc(II) nitrate hexahydrate

: 636-94-2
2-hydroxyterephthalic acid

: 68-12-2, 33513-42-7
N,N-dimethyl-formamide

: [dimethylammonium][Zn3(OH)Ti(2-hydroxyterephthalic acid(-3H))3(HCO2)]*H2O

Conditions

Conditions	Yield
at 20 - 120℃; for 80h; High pressure;	72%

...Expand

: cadmium(II) nitrate tetrhydrate

: 193614-99-2
1,3,5-tris(1H-tetrazol-5-yl)benzene

: 636-94-2
2-hydroxyterephthalic acid

: 68-12-2, 33513-42-7
N,N-dimethyl-formamide

: [Cd4(OH-BDC)3(HBTT)(N,N-dimethylformamide)2]n

Conditions

Conditions	Yield
In water; dimethyl sulfoxide at 120℃; for 72h;	72%

...Expand

: 636-94-2
2-hydroxyterephthalic acid

: 95-85-2
2-hydroxy-5-chloro-aniline

: 2,5-bis(5-chloro-2-benzoxazolyl)phenol

Conditions

Conditions	Yield
With PPA at 200℃; for 22h;	70%

: 67-56-1
methanol

: 636-94-2
2-hydroxyterephthalic acid

: C9H7ClO4

Conditions

Conditions	Yield
With thionyl chloride for 0.5h; Reflux;	69.3%

: 94109-11-2
2-amino-4-ethylphenol

: 636-94-2
2-hydroxyterephthalic acid

: 2,5-bis(5-ethyl-2-benzoxazolyl)phenol

Conditions

Conditions	Yield
With PPA at 200℃; for 22h;	69%

: 636-94-2
2-hydroxyterephthalic acid

: terbium nitrate hexahydrate

: 7732-18-5
water

: 68-12-2, 33513-42-7
N,N-dimethyl-formamide

: 6Tb(3+)*8HO(1-)*5C8H4O5(2-)*6H2O*7C3H7NO*2C2H7N*C8H6O5

Conditions

Conditions	Yield
With nitric acid; o-fluoro-benzoic acid at 110℃; for 60h;	67%

...Expand

: 280-57-9
1,4-diaza-bicyclo[2.2.2]octane

: zinc(II) nitrate hexahydrate

: 636-94-2
2-hydroxyterephthalic acid

: 68-12-2, 33513-42-7
N,N-dimethyl-formamide

: Zn(2-hydroxybenzene-1,4-dicarboxylate)(1,4-diazabicyclo[2.2.2]octane)0.5*2DMF*H2O

Conditions

Conditions	Yield
In N,N-dimethyl-formamide High Pressure; DABCO (0.5 mmol) added to DMF soln. of Zn(NO3)2*6H2O (1.0 mmol) and 2-hydroxybenzene-1,4-dicarboxylic acid (1.0 mmol), heated in screw-capped vial at 110°C for 24 h; cooled, filtered, washed with DMF; elem. anal., XRD;	66.9%

...Expand

: 636-94-2
2-hydroxyterephthalic acid

: europium nitrate hexahydrate

: 7732-18-5
water

: 68-12-2, 33513-42-7
N,N-dimethyl-formamide

: 6Eu(3+)*8HO(1-)*5C8H4O5(2-)*6H2O*7C3H7NO*2C2H7N*C8H6O5

Conditions

Conditions	Yield
With nitric acid; o-fluoro-benzoic acid at 110℃; for 48h;	65%

...Expand

: 64-17-5
ethanol

: 636-94-2
2-hydroxyterephthalic acid

: 74744-72-2
hydroxy-terephthalic acid diethyl ester

Conditions

Conditions	Yield
With sulfuric acid at 80℃; for 48h;	63%
With toluene-4-sulfonic acid

2-Hydroxyterephthalic acid Specification

The CAS register number of 1,4-Benzenedicarboxylicacid, 2-hydroxy- is 636-94-2. It also can be called as 2-Hydroxyterephthalic acid and the systematic name about this chemical is 2-hydroxybenzene-1,4-dicarboxylic acid. The molecular formula about this chemical is C₈H₆O₅ and the molecular weight is 182.1302. It belongs to the following product categories which include Carboxylic Acids; Phenyls & Phenyl-Het; Carboxylic Acids; Phenyls & Phenyl-Het and so on.

Physical properties about1,4-Benzenedicarboxylicacid, 2-hydroxy- are: (1)ACD/LogP: 2.76; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 5; (7)#H bond donors: 3; (8)#Freely Rotating Bonds: 3; (9)Polar Surface Area: 94.83 Å²; (10)Index of Refraction: 1.666; (11)Molar Refractivity: 41.995 cm³; (12)Molar Volume: 112.922 cm³; (13)Polarizability: 16.648x10^-24cm³; (14)Surface Tension: 88.696 dyne/cm; (15)Density: 1.613 g/cm³; (16)Flash Point: 232.186 °C; (17)Enthalpy of Vaporization: 73.093 kJ/mol; (18)Boiling Point: 436.932 °C at 760 mmHg.

Preparation: this chemical can be prepared by bromo-terephthalic acid. This reaction will need reagent of sodium hydroxide.

Uses of 1,4-Benzenedicarboxylicacid, 2-hydroxy-: it can be used to produce 2,5-bis-(5-ethyl-benzooxazol-2-yl)-phenol with 4-ethyl-2-amino-phenol. This reaction will need reagent of PPA. The reaction time is 22 hours with reaction temperature of 200 °C. The yield is about 69%.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(c(cc1C(=O)O)O)C(=O)O
(2)InChI: InChI=1/C8H6O5/c9-6-3-4(7(10)11)1-2-5(6)8(12)13/h1-3,9H,(H,10,11)(H,12,13)
(3)InChIKey: CDOWNLMZVKJRSC-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C8H6O5/c9-6-3-4(7(10)11)1-2-5(6)8(12)13/h1-3,9H,(H,10,11)(H,12,13)
(5)Std. InChIKey: CDOWNLMZVKJRSC-UHFFFAOYSA-N

Product Name

2-hydroxyterephthalic acid

Synthetic route

2-Hydroxyterephthalic acid Specification

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