trans-1,4-Cyclohexanedicarboxybic acid supplier

Name
trans-1,4-Cyclohexanedicarboxybic acid
EINECS 210-614-2
CAS No. 619-82-9
Article Data58
CAS DataBase
Density 1.314 g/cm³
Solubility Soluble in hot methanol (almost transparency), ethanol, acetone. Slightly soluble in ether and water
Melting Point >300 °C(lit.)
Formula C8H12 O4
Boiling Point 384.1 °C at 760 mmHg
Molecular Weight 172.181
Flash Point 200.3 °C
Transport Information
Appearance White crystal
Safety 26-36/37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols
Synonyms trans-1,4-Cyclohexane-1,4-dicarboxylicacid; trans-1,4-Cyclohexanedicarboxylic acid; trans-1,4-Cyclohexyldicarboxylicacid; trans-4-Carboxycyclohexanecarboxylic acid; trans-Hexahydroterephthalicacid
PSA 74.60000
LogP 0.96200

Synthetic route

: C14H24O6

: 619-82-9
1,4-cyclohexanedicarboxylic acid

Conditions

Conditions	Yield
With trifluoroacetic acid In tetrahydrofuran at 50℃; for 4h;	99%

: C16H28O8

: 619-82-9
1,4-cyclohexanedicarboxylic acid

Conditions

Conditions	Yield
With trifluoroacetic acid In tetrahydrofuran at 50℃; for 3.5h;	99%

: 100-21-0
terephthalic acid

: 619-82-9
1,4-cyclohexanedicarboxylic acid

Conditions

Conditions	Yield
With 5%-palladium/activated carbon; hydrogen In water at 150℃; under 30003 Torr; for 5.5h;	92%

: 120-61-6
1,4-benzenedicarboxylic acid dimethyl ester

A: 619-82-9
1,4-cyclohexanedicarboxylic acid

B: 619-81-8
cis-cyclohexane-1,4-dicarboxylic acid

Conditions

Conditions	Yield
With hydrogenchloride; methanol Hydrogenation.weiteres Reagens: Platin; Behandlung des Reaktionsprodukts mit warmer wss. Natronlauge oder warmer wss. Salzsaeure;
With hydrogenchloride; acetic acid Hydrogenation.weiteres Reagens: Platin; Behandlung des Reaktionsprodukts mit warmer wss. Natronlauge oder warmer wss. Salzsaeure;

: 100-21-0
terephthalic acid

A: 619-82-9
1,4-cyclohexanedicarboxylic acid

B: 619-81-8
cis-cyclohexane-1,4-dicarboxylic acid

Conditions

Conditions	Yield
With palladium on activated charcoal; water at 180 - 200℃; under 128714 - 257428 Torr; Hydrogenation;
With hydrogen; acetic acid; platinum
With water; pyrographite; ruthenium at 140℃; under 257428 Torr; Hydrogenation;
With 5%-palladium/activated carbon; hydrogen In water at 150℃; under 37503.8 Torr; Reagent/catalyst; Pressure; Time; Autoclave; Overall yield = 99.5 %;	A n/a B n/a
With water; hydrogen at 80℃; under 37503.8 Torr; for 2h; Reagent/catalyst; Autoclave;	A n/a B n/a

: 619-81-8
cis-cyclohexane-1,4-dicarboxylic acid

: 619-82-9
1,4-cyclohexanedicarboxylic acid

Conditions

Conditions	Yield
With hydrogenchloride at 180℃;

dimethyl 1,4-cyclohexanedicarboxylate: dimethyl 1,4-cyclohexanedicarboxylate

A: 619-82-9
1,4-cyclohexanedicarboxylic acid

B: 15177-67-0
trans-4-(methoxycarbonyl)cyclohexanecarboxylic acid

Conditions

Conditions	Yield
With methanol; potassium hydroxide

: 2205-27-8
cyclohex-1-ene-1,4-dicarboxylic acid

: 619-82-9
1,4-cyclohexanedicarboxylic acid

Conditions

Conditions	Yield
With hydrogen iodide

: 1459-30-9
cyclohexane-1,1,4-tricarboxylic acid

: 619-82-9
1,4-cyclohexanedicarboxylic acid

Conditions

Conditions	Yield
at 200 - 220℃;

: 3919-11-7, 3919-12-8, 19618-93-0, 131721-06-7, 131721-07-8
trans-Cyclohex-2-ene-1,4-dicarboxylic acid

: 619-82-9
1,4-cyclohexanedicarboxylic acid

Conditions

Conditions	Yield
With acetic acid; platinum Hydrogenation;

: 153032-61-2
1,1,4,4-Cyclohexanetetracarboxylic acid

A: 619-82-9
1,4-cyclohexanedicarboxylic acid

B: 619-81-8
cis-cyclohexane-1,4-dicarboxylic acid

Conditions

Conditions	Yield
at 250℃;

: 79-37-8
oxalyl dichloride

: 2719-27-9
cyclohexanylcarbonyl chloride

: 619-82-9
1,4-cyclohexanedicarboxylic acid

Conditions

Conditions	Yield
With Perbenzoic acid anschliessendes Hydrolysieren;

: 71195-27-2, 71195-28-3
trans-dimethyl cyclohex-2-ene-1,4-dicarboxylate

: 619-82-9
1,4-cyclohexanedicarboxylic acid

Conditions

Conditions	Yield
(i) (hydrogenation), (ii) (hydrolysis); Multistep reaction;

: 7647-01-0
hydrogenchloride

: 619-81-8
cis-cyclohexane-1,4-dicarboxylic acid

: 619-82-9
1,4-cyclohexanedicarboxylic acid

Conditions

Conditions	Yield
at 180℃;

2-bromo-trans-hexahydroterephthalic acid: 2-bromo-trans-hexahydroterephthalic acid

: 619-82-9
1,4-cyclohexanedicarboxylic acid

Conditions

Conditions	Yield
With acetic acid; zinc

: 6550-96-5
cis-cyclohexane-1,4-dicarbonitrile

aqueous KOH-solution: aqueous KOH-solution

: 619-82-9
1,4-cyclohexanedicarboxylic acid

(+-)-cyclohexene-(1)-dicarboxylic acid-(1.4)-dimethyl ester: (+-)-cyclohexene-(1)-dicarboxylic acid-(1.4)-dimethyl ester

A: 619-82-9
1,4-cyclohexanedicarboxylic acid

B: 619-81-8
cis-cyclohexane-1,4-dicarboxylic acid

Conditions

Conditions	Yield
With acetic acid; platinum Hydrogenation.Behandlung des Reaktionsprodukts mit warmer methanol. Natronlauge;
With acetic acid; platinum Hydrogenation.Behandlung des Reaktionsprodukts mit warmer wss. Salzsaeure;

1.4-dibromo-cis-hexahydroterephthalic acid: 1.4-dibromo-cis-hexahydroterephthalic acid

A: 619-82-9
1,4-cyclohexanedicarboxylic acid

B: 619-81-8
cis-cyclohexane-1,4-dicarboxylic acid

Conditions

Conditions	Yield
With acetic acid; zinc

1.4-dibromo-trans-hexahydroterephthalic acid: 1.4-dibromo-trans-hexahydroterephthalic acid

A: 619-82-9
1,4-cyclohexanedicarboxylic acid

B: 619-81-8
cis-cyclohexane-1,4-dicarboxylic acid

Conditions

Conditions	Yield
With sodium amalgam
With acetic acid; zinc
With acetic acid; zinc

cyclohexane-tetracarboxylic acid-(1.1.4.4): cyclohexane-tetracarboxylic acid-(1.1.4.4)

A: 619-82-9
1,4-cyclohexanedicarboxylic acid

B: 619-81-8
cis-cyclohexane-1,4-dicarboxylic acid

Conditions

Conditions	Yield
at 240℃;

dipotassium-salt of/the/ terephthalic acid: dipotassium-salt of/the/ terephthalic acid

A: 619-82-9
1,4-cyclohexanedicarboxylic acid

B: 619-81-8
cis-cyclohexane-1,4-dicarboxylic acid

Conditions

Conditions	Yield
With copper-nickel-cobalt catalyst; water at 320℃; Hydrogenation;

: 100-21-0
terephthalic acid

: 64-19-7
acetic acid

platinum black: platinum black

A: 619-82-9
1,4-cyclohexanedicarboxylic acid

B: 619-81-8
cis-cyclohexane-1,4-dicarboxylic acid

Conditions

Conditions	Yield
Hydrogenation;

...Expand

: 22646-79-3
dimethyl 1-cyclohexen-1,4-dicarboxylate

: 64-19-7
acetic acid

platinum: platinum

A: 619-82-9
1,4-cyclohexanedicarboxylic acid

B: 619-81-8
cis-cyclohexane-1,4-dicarboxylic acid

Conditions

Conditions	Yield
Behandlung des Reaktionsprodukts mit warmer wss. Salzsaeure.Hydrogenation;
Behandlung des Reaktionsprodukts mit methanol. Natronlauge.Hydrogenation;

...Expand

: 2205-27-8
cyclohex-1-ene-1,4-dicarboxylic acid

: 10034-85-2
hydrogen iodide

: 619-82-9
1,4-cyclohexanedicarboxylic acid

Conditions

Conditions	Yield
at 240℃;

: 1459-30-9
cyclohexane-1,1,4-tricarboxylic acid

A: 124-38-9
carbon dioxide

B: 619-82-9
1,4-cyclohexanedicarboxylic acid

Conditions

Conditions	Yield
at 200 - 220℃;

: 1659-96-7
1,4-dibromo-trans-cyclohexane-1,4-dicarboxylic acid dimethyl ester

: 64-19-7
acetic acid

zinc-dust: zinc-dust

A: 619-82-9
1,4-cyclohexanedicarboxylic acid

B: 619-81-8
cis-cyclohexane-1,4-dicarboxylic acid

Conditions

Conditions	Yield
anschl. Verseifung;

...Expand

: 58498-22-9
2,5-dibromo-cyclohexane-1,4-dicarboxylic acid

: 64-19-7
acetic acid

zinc dust: zinc dust

: 619-82-9
1,4-cyclohexanedicarboxylic acid

Conditions

Conditions	Yield
2.5-dibromo-trans-hexahydroterephthalic acid;

...Expand

: 58498-24-1
2-bromo-cyclohexane-1,4-dicarboxylic acid

: 64-19-7
acetic acid

zinc dust: zinc dust

: 619-82-9
1,4-cyclohexanedicarboxylic acid

Conditions

Conditions	Yield
2-bromo-trans-hexahydroterephthalic acid;

...Expand

: 54638-93-6
1,4-dibromo-cyclohexane-1r,4t-dicarboxylic acid

sodium amalgam: sodium amalgam

A: 619-82-9
1,4-cyclohexanedicarboxylic acid

B: 619-81-8
cis-cyclohexane-1,4-dicarboxylic acid

...Expand

: 64-17-5
ethanol

: 619-82-9
1,4-cyclohexanedicarboxylic acid

: 19145-96-1
diethyl cyclohexane-trans-1,4-dicarboxylate

Conditions

Conditions	Yield
With sulfuric acid for 20h; Reflux;	100%

: cobalt(II) nitrate hexahydrate

: 619-82-9
1,4-cyclohexanedicarboxylic acid

: 7732-18-5
water

Co5(OH)8(trans-1,4-cyclohexanedicarboxylate)*4H2O: Co5(OH)8(trans-1,4-cyclohexanedicarboxylate)*4H2O

Conditions

Conditions	Yield
With NaOH In water High Pressure; a soln. of Co-contg. compd. was added to a soln. of a mixt. of cis- and trans-1,4-cyclohexanedicarboxylic acid and NaOH; addn. of barbityric acid (2 mmol) and an aq. soln. of NaOH (2 mmol); heating in autoclave at 170-200°C for 16 h; cooling in a water bath; the barbituric acid was sepd. from the crystalsby flotation in a water/methanol mixt. and decantation; the crystals we re washed with acetone and dried in air; elem. anal. powder XRD;	99%

Yield

With NaOH In water High Pressure; a soln. of Co-contg. compd. was added to a soln. of a mixt. of cis- and trans-1,4-cyclohexanedicarboxylic acid and NaOH; addn. of barbityric acid (2 mmol) and an aq. soln. of NaOH (2 mmol); heating in autoclave at 170-200°C for 16 h; cooling in a water bath; the barbituric acid was sepd. from the crystalsby flotation in a water/methanol mixt. and decantation; the crystals we re washed with acetone and dried in air; elem. anal. powder XRD;

99%

...Expand

: 619-82-9
1,4-cyclohexanedicarboxylic acid

: 619-81-8
cis-cyclohexane-1,4-dicarboxylic acid

: N,N-Bis-(2-methoxy-ethyl)-2-({[2-(4-methoxy-phenyl)-ethylcarbamoyl]-methyl}-amino)-acetamide; hydrochloride

: N,N'-bis(N-(2-(4-methoxyphenyl)ethyl)carboxamidomethyl)-N,N'-bis(N,N-di(2-methoxyethyl)carboxamidomethyl)cyclohexane-1,4-dicarboxamide

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine; bromo-tris(1-pyrrolidinyl)phosphonium hexafluorophosphate In 1,4-dioxane; hydrogenchloride at 25℃; for 16h; Condensation;	97%

...Expand

: 619-82-9
1,4-cyclohexanedicarboxylic acid

: 13170-66-6, 14571-47-2, 19988-54-6
trans-1,4-cyclohexanedicarboxylic acid dichloride

Conditions

Conditions	Yield
With thionyl chloride; N-benzyl-N,N,N-triethylammonium chloride In 1,2-dichloro-ethane for 0.5h; Heating;	96%
With thionyl chloride
With oxalyl dichloride; N,N-dimethyl-formamide In dichloromethane for 18h; Ambient temperature;

: nickel(II) nitrate hexahydrate

: 619-82-9
1,4-cyclohexanedicarboxylic acid

: tris[4-(1Himidazol-1-yl)-phenyl]amine

: 7732-18-5
water

: {[Ni(tris[4-(1Himidazol-1-yl)-phenyl]amine)(trans-1,4-cyclohexanedicarboxylic acid(-2H))-(H2O)]·H2O}n

Conditions

Conditions	Yield
In N,N-dimethyl-formamide at 120℃; for 72h; Autoclave; High pressure;	85%

...Expand

: cobalt(II) nitrate hexahydrate

: 619-82-9
1,4-cyclohexanedicarboxylic acid

: tris[4-(1Himidazol-1-yl)-phenyl]amine

: 7732-18-5
water

: {[Co(tris[4-(1Himidazol-1-yl)-phenyl]amine)(trans-1,4-cyclohexanedicarboxylic acid(-2H))(H2O)]·H2O}n

Conditions

Conditions	Yield
In N,N-dimethyl-formamide at 120℃; for 72h; Autoclave; High pressure;	80%

...Expand

: 619-82-9
1,4-cyclohexanedicarboxylic acid

: 6-[(4-hydroxyphenyl)oxy]hexyl acrylate

: C23H30O7

Conditions

Conditions	Yield
With dmap; 2,6-di-tert-butyl-4-methyl-phenol; diisopropyl-carbodiimide In 1-methyl-pyrrolidin-2-one at 45℃; for 16h; Inert atmosphere;	77%
With dmap; 3,5-dibutyl-4-hydroxytoluene; diisopropyl-carbodiimide In 1-methyl-pyrrolidin-2-one at 45℃; for 15h;	75%
Stage #1: trans-hexahydroterephthalic acid With methanesulfonyl chloride; triethylamine In tetrahydrofuran at 20 - 30℃; for 2.16667h; Inert atmosphere; Stage #2: 6-[(4-hydroxyphenyl)oxy]hexyl acrylate With dmap; triethylamine In tetrahydrofuran at 15 - 30℃; for 2.16667h;	65%

: 619-82-9
1,4-cyclohexanedicarboxylic acid

: C13H16O4

: C21H26O7

Conditions

Conditions	Yield
With dmap; 3,5-dibutyl-4-hydroxytoluene; diisopropyl-carbodiimide In 1-methyl-pyrrolidin-2-one at 45℃; for 15h;	77%

: 619-82-9
1,4-cyclohexanedicarboxylic acid

: N-{[2-(4-methoxy-phenyl)-ethylcarbamoyl]-methyl}-2-[({{[2-(4-methoxy-phenyl)-ethylcarbamoyl]-methyl}-[(3,4,5-trimethoxy-benzylcarbamoyl)-methyl]-carbamoyl}-methyl)-amino]-N-[(3,4,5-trimethoxy-benzylcarbamoyl)-methyl]-acetamide; hydrochloride

: C108H138N14O30

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine; bromo-tris(1-pyrrolidinyl)phosphonium hexafluorophosphate In N,N-dimethyl-formamide at 25℃; for 16h; Condensation;	76%

: 1194-98-5
2,5-Dihydroxybenzaldehyde

: 619-82-9
1,4-cyclohexanedicarboxylic acid

: C22H20O8

Conditions

Conditions	Yield
With dmap; diisopropyl-carbodiimide In chloroform at 15 - 25℃; for 6h; Inert atmosphere;	75.1%
With dmap; diisopropyl-carbodiimide In chloroform at 15 - 25℃; for 6h; Inert atmosphere;	18 g

: 619-82-9
1,4-cyclohexanedicarboxylic acid

: 1461-22-9
tributyltin chloride

: [((n-Bu)3Sn)2(trans-1,4-cyclohexanedicarboxylate)]

Conditions

Conditions	Yield
With sodium ethoxide In benzene Schlenk; ligand (1 mmol) and sodium ethoxide (2 mmol) in benzene stirredfor 10 min, Sn compd. (2 mmol) added, stirred for 12 h at 40°C; filtered, concd., pptd., recrystd. (Et2O), elem. anal.;	75%

: 619-82-9
1,4-cyclohexanedicarboxylic acid

: 3151-41-5
tribenzyltin(IV) chloride

: [((PhCH2)3Sn)2(trans-1,4-cyclohexanedicarboxylate)]

Conditions

Conditions	Yield
With sodium ethoxide In benzene Schlenk; ligand (1 mmol) and sodium ethoxide (2 mmol) in benzene stirredfor 10 min, Sn compd. (2 mmol) added, stirred for 12 h at 40°C; filtered, concd., pptd., recrystd. (Et2O), elem. anal.;	75%

: Re2(O2CCH3)Cl4(dppm)2

: 64-17-5
ethanol

: 619-82-9
1,4-cyclohexanedicarboxylic acid

: cis-Re2Cl4(μ-dppm)2(μ-O2CC6H11CO2Et)*2EtOH

Conditions

Conditions	Yield
In ethanol mixt. of Re-complex and ligand was refluxed in EtOH for 3 ds under N2; filtered, washed with EtOH and Et2O; elem. anal.;	74%

...Expand

: 619-82-9
1,4-cyclohexanedicarboxylic acid

: C15H18O5

: C23H28O8

Conditions

Conditions	Yield
With dmap; 3,5-dibutyl-4-hydroxytoluene; diisopropyl-carbodiimide In 1-methyl-pyrrolidin-2-one at 45℃; for 16h;	73%

: 619-82-9
1,4-cyclohexanedicarboxylic acid

: 639-58-7
triphenyltin chloride

: [(Ph3Sn)2(trans-1,4-cyclohexanedicarboxylate)]

Conditions

Conditions	Yield
With sodium ethoxide In benzene Schlenk; ligand (1 mmol) and sodium ethoxide (2 mmol) in benzene stirredfor 10 min, Sn compd. (2 mmol) added, stirred for 12 h at 40°C; filtered, concd., pptd., recrystd. (Et2O), elem. anal.;	71%

: 619-82-9
1,4-cyclohexanedicarboxylic acid

: aluminium(III) chloride hexahydrate

: 1447716-31-5
[Al(OH)(trans-1,4-cyclohexanedicarboxylate)]*H2O

Conditions

Conditions	Yield
With pyridine In water; N,N-dimethyl-d6-formamide at 130℃; for 12h; Concentration; Reagent/catalyst; Solvent; Autoclave; High pressure;	71%

: 619-82-9
1,4-cyclohexanedicarboxylic acid

: 2273-45-2
dimethyltin oxide

: C8H10O4(2-)*2CH3(1-)*Sn(4+)

Conditions

Conditions	Yield
In ethanol; toluene for 8h; Reflux; Dean-Stark;	71%

: hexaaquanickel(II) nitrate

: 619-82-9
1,4-cyclohexanedicarboxylic acid

: [Ni(H2O)4(μ2-trans-1,4-cyclohexanedicarboxylato)]

Conditions

Conditions	Yield
With NaOH In water High Pressure; a soln. of a mixt. of cis- and trans-1,4-cyclohexanedicarboxylic acid (65/35) or only the trans isomer with NaOH in H2O added to a soln. of Ni complex, sealed, heated to 100°C for 1 d in an autoclave; cooled, crystals washed with H2O and acetone, dried in air; elem. anal.;	70%

: cadmium(II) nitrate tetrhydrate

: 619-82-9
1,4-cyclohexanedicarboxylic acid

: 13362-78-2
trans-1,2-bis(pyridin-4-yl)ethene

: [Cd2(trans-1,4-e,e-cyclohexanedicarboxylate)(trans-1,4-a,a-cyclohexanedicarboxylate)((E)-1,2-bis(4-pyridyl)ethylene)2]n

Conditions

Conditions	Yield
With KOH In water High Pressure; (C6H10)(COOH)2 (0.46 mmol), KOH (0.93 mmol), Cd(NO3)2*4H2O (0.46 mmol), and (C5H4N)2C2H2 (0.46 mmol) suspended in H2O; heated in pressure tube (120°C, 4 d);	70%
With KOH In ethanol; water (C6H10)(COOH)2 (0.46 mmol) dissolved in EtOH containing KOH (0.93 mmol);soln. of Cd(NO3)2*4H2O (0.46 mmol) and (C5H4N)2C2H2 (0.46 mmol) in EtOH -H2O (7:1) added; evapd. (4 d, room temp.); elem. anal.;	44%

...Expand

trans-1,4-Cyclohexanedicarboxybic acid Chemical Properties

Molecular Structure of trans-1,4-Cyclohexanedicarboxybic acid (CAS NO.619-82-9):

IUPAC Name: Cyclohexane-1,4-dicarboxylic acid
Molecular Formula: C₈H₁₂O₄
Molecular Weight: 172.18
EINECS: 210-614-2
Melting Point: 312.5 °C
log P (octanol-water): 0.950
Index of Refraction: 1.521
Molar Refractivity: 39.885 cm³
Molar Volume: 130.952 cm³
Surface Tension: 57.832 dyne/cm
Density: 1.315 g/cm³
Flash Point: 200.254 °C
Enthalpy of Vaporization: 69.461 kJ/mol
Boiling Point: 384.075 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25 °C
Water Solubility: 800 mg/L at 17 °C
Atmospheric OH Rate Constant: 1.11E-11 cm³/molecule-sec at 25 °C
Appearance: white to light yellow crystal powder
Canonical SMILES: C1CC(CCC1C(=O)O)C(=O)O
InChI: InChI=1S/C8H12O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h5-6H,1-4H2,(H,9,10)(H,11,12)
InChIKey: PXGZQGDTEZPERC-UHFFFAOYSA-N
Product Categories: chiral;4-Substituted Cyclohexanecarboxylic Acids; C8; Carbonyl Compounds; Carboxylic Acids

trans-1,4-Cyclohexanedicarboxybic acid Safety Profile

Safety Information of trans-1,4-Cyclohexanedicarboxybic acid (CAS NO.619-82-9):
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36/37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
WGK Germany: 3

trans-1,4-Cyclohexanedicarboxybic acid Specification

trans-1,4-Cyclohexanedicarboxybic acid (CAS NO.619-82-9), its Synonyms are trans-Hexahydroterephthalic acid ; 1,4-Cyclohexanedicarboxylic acid, trans- ; trans-Hexahydro-p-phthalic acid ; trans-Cyclohexane-1,4-dicarboxylic acid .

Product Name

trans-1,4-Cyclohexanedicarboxybic acid

Synthetic route

trans-1,4-Cyclohexanedicarboxybic acid Chemical Properties

trans-1,4-Cyclohexanedicarboxybic acid Safety Profile

trans-1,4-Cyclohexanedicarboxybic acid Specification

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