2,5-Dimethylterephthalic acid supplier

Name
2,5-Dimethylterephthalic acid
EINECS
CAS No. 6051-66-7
Article Data16
CAS DataBase
Density 1.32 g/cm³
Solubility
Melting Point
Formula C₁₀H₁₀O₄
Boiling Point 386.8 °C at 760 mmHg
Molecular Weight 194.187
Flash Point 201.9 °C
Transport Information
Appearance
Safety 26-36/37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols
Synonyms Terephthalic acid, 2,5-dimethyl- (6CI,7CI,8CI);2,5-Dimethyl-1,4-benzenedicarboxylic acid;2,5-Dimethyl-1,4-phenylenediaceticacid;2,5-Dimethylterephthalic acid;NSC 174018;b-Cumidicacid;
PSA 74.60000
LogP 1.69980

Synthetic route

: 106353-74-6
1,2,4,5-tetrahydro-p-xylene-3,6-dicarboxylic acid

: 6051-66-7
2,5-dimethylterephthalic acid

Conditions

Conditions	Yield
With palladium on activated charcoal	93%

: 109-99-9
tetrahydrofuran

: 1074-24-4
2,5-dibromo-p-xylene

: 6051-66-7
2,5-dimethylterephthalic acid

Conditions

Conditions	Yield
Stage #1: tetrahydrofuran; 2,5-dibromo-p-xylene With magnesium at 60℃; Schlenk technique; Inert atmosphere; Glovebox; Stage #2: With iodine at 60℃; Schlenk technique; Inert atmosphere;	54%

: 124-38-9
carbon dioxide

: 582-25-2
Potassium benzoate

A: 100-21-0
terephthalic acid

B: 5156-01-4
2-methylterephthalic acid

C: 6051-66-7
2,5-dimethylterephthalic acid

D: 18087-49-5
2,3,5-trimethyl-1,4-dicarboxybenzene

E: 14458-05-0
2,3,5,6-tetramethyl-1,4-benzenedicarboxylic acid

Conditions

Conditions	Yield
With potassium acetate; potassium phthalate; zinc(II) oxide at 450℃; under 25858.1 Torr; Henkel Reaction;	A 50% B n/a C n/a D n/a E n/a

...Expand

: 124-38-9
carbon dioxide

: 1074-24-4
2,5-dibromo-p-xylene

: 6051-66-7
2,5-dimethylterephthalic acid

Conditions

Conditions	Yield
Stage #1: 2,5-dibromo-p-xylene With N,N,N,N,-tetramethylethylenediamine; tert.-butyl lithium In tetrahydrofuran; pentane at -70℃; for 2.5h; Stage #2: carbon dioxide at -70℃; Further stages.;	40%
Stage #1: 2,5-dibromo-p-xylene With n-butyllithium In tetrahydrofuran; pentane at -70℃; for 2.5h; Inert atmosphere; Stage #2: carbon dioxide In tetrahydrofuran; pentane Cooling with acetone-dry ice;

: 95-93-2
1,2,4,5-tetramethylbenzene

A: 6051-66-7
2,5-dimethylterephthalic acid

B: 2790-09-2
4,6-dimethylisophthalic acid

Conditions

Conditions	Yield
With nitric acid

: 39095-25-5
2,5-dimethylbenzene-1,4-dicarbonitrile

: 6051-66-7
2,5-dimethylterephthalic acid

Conditions

Conditions	Yield
With sulfuric acid
With potassium hydroxide In diethylene glycol Heating;

: 528-90-5
2,4,5-trimethylbenzoic acid

A: 6051-66-7
2,5-dimethylterephthalic acid

B: 2790-09-2
4,6-dimethylisophthalic acid

Conditions

Conditions	Yield
With permanganate(VII) ion

: 40920-67-0
2,5-dimethyl-4-ethylacetophenone

A: 89-05-4
1,2,4,5-benzenetetracarboxylic acid

B: 6051-66-7
2,5-dimethylterephthalic acid

Conditions

Conditions	Yield
With nitric acid at 140 - 150℃; im Rohr;

: 95-93-2
1,2,4,5-tetramethylbenzene

: 7697-37-2
nitric acid

A: 6051-66-7
2,5-dimethylterephthalic acid

B: 2790-09-2
4,6-dimethylisophthalic acid

C: 528-90-5
2,4,5-trimethylbenzoic acid

...Expand

2.4.5-trimethyl-phenylglyoxylic acid: 2.4.5-trimethyl-phenylglyoxylic acid

A: 6051-66-7
2,5-dimethylterephthalic acid

B 2.4.5-trimethyl-benzoic acid , 4.6-dimethyl-isophthalic acid: 2.4.5-trimethyl-benzoic acid , 4.6-dimethyl-isophthalic acid

Conditions

Conditions	Yield
With nitric acid

2.4.5-trimethyl-phenylglyoxylic acid: 2.4.5-trimethyl-phenylglyoxylic acid

A: 6051-66-7
2,5-dimethylterephthalic acid

B: 528-90-5
2,4,5-trimethylbenzoic acid

Conditions

Conditions	Yield
With nitric acid

: 412035-54-2
(2,4,5-trimethyl-phenyl)-glyoxylic acid

: 7697-37-2
nitric acid

A: 6051-66-7
2,5-dimethylterephthalic acid

B: 2790-09-2
4,6-dimethylisophthalic acid

...Expand

: 95-93-2
1,2,4,5-tetramethylbenzene

A: 34240-10-3
5-methyl-1,2,4-benzenetricarboxylic acid

B: 6051-66-7
2,5-dimethylterephthalic acid

C: 2790-09-2
4,6-dimethylisophthalic acid

D: 528-90-5
2,4,5-trimethylbenzoic acid

Conditions

Conditions	Yield
With water; oxygen; bromide; cobalt(II) acetate; manganese(II) acetate In acetic acid at 95℃; atmospheric pressure; Further byproducts.;

...Expand

: 1074-24-4
2,5-dibromo-p-xylene

: 6051-66-7
2,5-dimethylterephthalic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 81 percent / dimethylformamide / 48 h / Heating 2: KOH / bis-(2-hydroxy-ethyl) ether / Heating View Scheme

: 1758-88-9
2-ethyl-p-xylene

: 6051-66-7
2,5-dimethylterephthalic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: aluminium chloride; carbon disulfide 2: nitric acid / 140 - 150 °C / im Rohr View Scheme

: 2142-73-6
1-(2,5-dimethylphenyl)-1-ethanone

: 6051-66-7
2,5-dimethylterephthalic acid

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: amalgamated zinc; hydrochloric acid 2: aluminium chloride; carbon disulfide 3: nitric acid / 140 - 150 °C / im Rohr View Scheme

: 95-93-2
1,2,4,5-tetramethylbenzene

A: 89-05-4
1,2,4,5-benzenetetracarboxylic acid

B: 34240-10-3
5-methyl-1,2,4-benzenetricarboxylic acid

C: 6051-66-7
2,5-dimethylterephthalic acid

Conditions

Conditions	Yield
With oxygen; zirconium(IV) sulfate; cobalt(II) acetate; manganese(II) acetate; 2,6-dihydroxypyrrolo[3,4-f]isoindolo-1,3,5,7(2H,6H)tetrone In acetic acid at 80 - 120℃; under 15001.5 Torr; for 2h; Product distribution / selectivity;	A 8 %Chromat. B 50 %Chromat. C 23 %Chromat.

...Expand

: 95-93-2
1,2,4,5-tetramethylbenzene

A: 34240-10-3
5-methyl-1,2,4-benzenetricarboxylic acid

B: 6051-66-7
2,5-dimethylterephthalic acid

Conditions

Conditions	Yield
With oxygen; zirconium(IV) sulfate; cobalt(II) acetate; manganese(II) acetate; 2,6-dihydroxypyrrolo[3,4-f]isoindolo-1,3,5,7(2H,6H)tetrone In acetic acid at 80 - 120℃; under 15001.5 Torr; for 2h; Product distribution / selectivity;	A 50 %Chromat. B 25 %Chromat.

: 95-93-2
1,2,4,5-tetramethylbenzene

A: 6051-66-7
2,5-dimethylterephthalic acid

B: 528-90-5
2,4,5-trimethylbenzoic acid

Conditions

Conditions	Yield
With oxygen; zirconium(IV) sulfate; cobalt(II) acetate; manganese(II) acetate; 2,6-dihydroxypyrrolo[3,4-f]isoindolo-1,3,5,7(2H,6H)tetrone In acetic acid at 60 - 70℃; under 6000.6 Torr; for 2h; Product distribution / selectivity;	A 15 %Chromat. B 50 %Chromat.

: 67-56-1
methanol

: 6051-66-7
2,5-dimethylterephthalic acid

: 54100-53-7
2,5-dimethylterephthalic acid, dimethyl ester

Conditions

Conditions	Yield
With thionyl chloride for 3h; Heating / reflux;	99%
With thionyl chloride at 0℃; Reflux; Inert atmosphere;	99%
With sulfuric acid
With sulfuric acid Heating;
With methanesulfonic acid for 10h; Heating; Yield given;

: 6051-66-7
2,5-dimethylterephthalic acid

: 18107-18-1
diazomethyl-trimethyl-silane

: 54100-53-7
2,5-dimethylterephthalic acid, dimethyl ester

Conditions

Conditions	Yield
Stage #1: 2,5-dimethylterephthalic acid; diazomethyl-trimethyl-silane In methanol; hexanes; diethyl ether at 0 - 20℃; for 0.5h; Stage #2: With acetic acid In methanol; hexanes; diethyl ether	93%

: cobalt(II) chloride hexahydrate

: 6051-66-7
2,5-dimethylterephthalic acid

: 1366291-62-4
tris[4-( pyridin-4-yl)-phenyl]amine

: [Co(tris(4-(pyridin-4-yl)phenyl)amine)(2,5-dimethyl-1,4-benzenedicarboxylate)0.5Cl]n

Conditions

Conditions	Yield
In methanol; N,N-dimethyl-formamide at 60℃; for 48h;	86%

...Expand

: 64-17-5
ethanol

: 6051-66-7
2,5-dimethylterephthalic acid

: 75-57-0
tetramethlyammonium chloride

K(2 - x)(NMe4)x[I2Mo10O10S10(OH)10(H2O)5]·20H2O: K(2 - x)(NMe4)x[I2Mo10O10S10(OH)10(H2O)5]·20H2O

: (NMe4)2[Mo12O12S12(OH)12(H2O)2DMT]·21H2O·EtOH

Conditions

Conditions	Yield
Stage #1: 2,5-dimethylterephthalic acid; K(2 - x)(NMe4)x[I2Mo10O10S10(OH)10(H2O)5]·20H2O With potassium hydroxide In water at 50℃; for 0.5h; pH=4.5; Stage #2: ethanol; tetramethlyammonium chloride In water at 20℃;	85%

...Expand

: 16774-21-3
ammonium cerium (IV) nitrate

: 6051-66-7
2,5-dimethylterephthalic acid

: 7732-18-5
water

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

: 6C10H8O4(2-)*22H2O*4C3H7NO*[Ce6O4(OH)4](12+)

Conditions

Conditions	Yield
at 100℃; for 0.25h; High pressure; Sealed tube;	85%

...Expand

: 6051-66-7
2,5-dimethylterephthalic acid

: cesium chloride

K(2 - x)(NMe4)x[I2Mo10O10S10(OH)10(H2O)5]·20H2O: K(2 - x)(NMe4)x[I2Mo10O10S10(OH)10(H2O)5]·20H2O

: Cs1.94(NMe4)0.06[Mo12O12S12(OH)12(H2O)2DMT]·21H2O

Conditions

Conditions	Yield
Stage #1: 2,5-dimethylterephthalic acid; K(2 - x)(NMe4)x[I2Mo10O10S10(OH)10(H2O)5]·20H2O With potassium hydroxide In water at 50℃; for 0.5h; pH=4.5; Stage #2: cesium chloride In water at 20℃;	81%

...Expand

: zinc(II) nitrate hexahydrate

: 6051-66-7
2,5-dimethylterephthalic acid

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

: poly[tris(μ4-2,5-dimethylbenzene-1,4-dicarboxylato)bis(N,N-dimethylformamide)-μ4-oxido-tetrazinc(II)]

Conditions

Conditions	Yield
at 119.84℃; for 24h; High pressure; Sealed tube;	80%

...Expand

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

: nickel(II) chloride hexahydrate

: 6051-66-7
2,5-dimethylterephthalic acid

: [Ni2(2,5-dimethyl-1,4-benzenedicarboxylate)2(1,4-diazabicyclo[2,2,2]octane)]

Conditions

Conditions	Yield
Stage #1: 1,4-diaza-bicyclo[2.2.2]octane; nickel(II) chloride hexahydrate; 2,5-dimethylterephthalic acid In N,N-dimethyl-formamide for 24h; Stage #2: In N,N-dimethyl-formamide at 120℃; for 48h; Sealed tube;	79%

...Expand

: 97193-46-9
2,5-bis(pyridine-4-yl)thiazolo[5,4-d]thiazole

: zinc(II) nitrate hexahydrate

: 6051-66-7
2,5-dimethylterephthalic acid

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

: 0.5C14H8N4S2*0.5C10H8O4(2-)*C3H7NO*0.5Zn(2+)

Conditions

Conditions	Yield
at 100℃; for 48h; Autoclave;	78%

...Expand

: zinc(II) nitrate hexahydrate

: 6051-66-7
2,5-dimethylterephthalic acid

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

: [Zn3(2,5-dimethylterephthalate)3(N,N-dimethylformamide)2]n

Conditions

Conditions	Yield
With 1,3-di(4-pyridyl)propane at 120℃; for 48h; High pressure;	59%
at 20 - 110℃; for 79.5h;	35.92%

...Expand

: 1291-32-3
zirconocene dichloride

: 6051-66-7
2,5-dimethylterephthalic acid

: 7732-18-5
water

: [(zirconium)12(μ3-O)4(μ2-OH)12(Cp)12(2,5-dimethylbenzene-1,4-dicarboxylic acid)6]Cl4

Conditions

Conditions	Yield
In N,N-dimethyl-formamide at 65℃; for 8h;	59%

...Expand

: zinc(II) nitrate hexahydrate

: 127-19-5
N,N-dimethyl acetamide

: 6051-66-7
2,5-dimethylterephthalic acid

: 2C4H9NO*3Zn(2+)*3C10H8O4(2-)

Conditions

Conditions	Yield
at 20 - 110℃; for 79.5h;	58.93%

...Expand

: zinc(II) nitrate hexahydrate

: 6051-66-7
2,5-dimethylterephthalic acid

: [Zn(μ3-OH)4(μ4-2,5-dimethylbenzenedicarboxylate)(μ5-2,5-dimethylbenzenedicarboxylate)2]n

Conditions

Conditions	Yield
With NaOH; HNO3 In water High Pressure; the carboxylic acid and 2 equiv. of NaOH were dissolved in H2O, pH was adjusted to 7 with HNO3, 1 equiv. of Zn-salt was added, teflon-lined steel autoclave, heating to 170 °C with 0.2 °C/min rate, keeping at this temp. for 3 d; slow cooling to room temp. (0.1 °C/min), crystals were filtered off, washed with H2O, dried in air, elem. anal.;	57%

: 6051-66-7
2,5-dimethylterephthalic acid

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

: (3S,3’S,4S,4’S)-1,1’-(2,5-dimethylterephthaloyl)-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;	55%

: zinc(II) nitrate hexahydrate

: 6051-66-7
2,5-dimethylterephthalic acid

: Zn4O(2,5-dimethylbenzene-1,4-dicarboxylate)3

Conditions

Conditions	Yield
at 99.84℃; for 24h; High pressure; Sealed tube;	52%

: zinc(II) nitrate hexahydrate

: 6051-66-7
2,5-dimethylterephthalic acid

: 41009-88-5
benzene-1,3,5-triacrylic acid

: Zn4O(2,5-dimethyl-1,4-benzenedicarboxylic acid)(benzene-1,3,5-triacrylic acid)4/3

Conditions

Conditions	Yield
In ethanol; N,N-dimethyl-formamide at 85℃; for 24h;	43%

...Expand

: 110-86-1
pyridine

: 872-50-4
1-methyl-pyrrolidin-2-one

: zinc(II) nitrate hexahydrate

: 6051-66-7
2,5-dimethylterephthalic acid

: {[Zn(2,5-dimethylbenzene-1,4-dicarboxylic acid)(pyridine)]·N-methylpyrrolidone}2n

Conditions

Conditions	Yield
at 90℃; for 3h;	33.04%

...Expand

: zinc(II) nitrate hexahydrate

: 6051-66-7
2,5-dimethylterephthalic acid

: [Zn(μ4-2,5-dimethylbenzenedicarboxylate)]n

Conditions

Conditions	Yield
With NaOH; HNO3 In water High Pressure; the carboxylic acid and 2 equiv. of NaOH were dissolved in H2O, pH was adjusted to 7 with HNO3, 1 equiv. of Zn-salt was added, teflon-lined steel autoclave, heating to 150 °C with 0.2 °C/min rate, keeping at this temp. for 3 d; slow cooling to room temp. (0.1 °C/min), crystals were filtered off, washed with H2O, dried in air, elem. anal.;	31%

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

: zinc(II) nitrate hexahydrate

: 6051-66-7
2,5-dimethylterephthalic acid

: Zn2(2,5-dimethyl-1,4-benzenedicarboxylate)2(diazabicyclo[2.2.2]octane)

Conditions

Conditions	Yield
In N,N-dimethyl-formamide at 120℃; for 24h;	25.3%
In N,N-dimethyl-formamide at 20℃; for 4h; Alkaline conditions;

...Expand

: zinc(II) nitrate hexahydrate

: 6051-66-7
2,5-dimethylterephthalic acid

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

: 3C10H8O4(2-)*2C3H7NO*C2H7N*4Zn(2+)*O(2-)

Conditions

Conditions	Yield
With water at 20 - 110℃; for 79.5h;	21%

...Expand

: 6051-66-7
2,5-dimethylterephthalic acid

: 4693-44-1
2,5-dimethyl-terephthaloyl dichloride

Conditions

Conditions	Yield
With phosphorus pentachloride
With phosphorus pentachloride; benzene

: 6051-66-7
2,5-dimethylterephthalic acid

: 148344-30-3
4-(N-isopropylamidino)-1,2-phenylene diamine

: 1,4-bis(5-amidino-2-benzimidazolyl)-2,5-dimethylbenzene

Conditions

Conditions	Yield
With PPA 1.) 110 deg C, 45 min, 2.) from 110 to 200 deg C, 2 h;

2,5-Dimethylterephthalic acid Specification

The 2,5-Dimethylterephthalic acid, with CAS registry number 6051-66-7, belongs to the following product categories: (1)Fluorenes, etc. (reagent for high-performance polymer research); (2)Functional Materials; (3)Reagent for High-Performance Polymer Research. It has the systematic name of 4,4'-ethyne-1,2-diyldianiline. And the chemical formula of this chemical is C₁₀H₁₀O₄.

Physical properties of 2,5-Dimethylterephthalic acid: (1)ACD/LogP: 2.92; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 52.6 Å²; (11)Index of Refraction: 1.592; (12)Molar Refractivity: 49.76 cm³; (13)Molar Volume: 147 cm³; (14)Polarizability: 19.72×10^-24cm³; (15)Surface Tension: 58.5 dyne/cm; (16)Density: 1.32 g/cm³; (17)Flash Point: 201.9 °C; (18)Enthalpy of Vaporization: 67.06 kJ/mol; (19)Boiling Point: 386.8 °C at 760 mmHg; (20)Vapour Pressure: 1.12E-06 mmHg at 25°C.

Preparation: this chemical can be prepared by 1,2,4,5-tetrahydro-p-xylene-3,6-dicarboxylic acid. This reaction will need reagent 5% Pd/C. The yield is about 93%.

When you are using this chemical, please be cautious about it as the following:
The 2,5-Dimethylterephthalic acid irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1cc(c(cc1C)C(=O)O)C
(2)InChI: InChI=1/C10H10O4/c1-5-3-8(10(13)14)6(2)4-7(5)9(11)12/h3-4H,1-2H3,(H,11,12)(H,13,14)
(3)InChIKey: FKUJGZJNDUGCFU-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C10H10O4/c1-5-3-8(10(13)14)6(2)4-7(5)9(11)12/h3-4H,1-2H3,(H,11,12)(H,13,14)
(5)Std. InChIKey: FKUJGZJNDUGCFU-UHFFFAOYSA-N

Product Name

2,5-Dimethylterephthalic acid

Synthetic route

2,5-Dimethylterephthalic acid Specification

Related Products

Hot Products