2-Propyl-1H-imidazole-4,5-dicarboxy acid supplier

Name
2-Propyl-1H-imidazole-4,5-dicarboxy acid
EINECS 1312995-182-4
CAS No. 58954-23-7
Article Data14
CAS DataBase
Density 1.464 g/cm³
Solubility
Melting Point 262-264 °C(Solv: ethanol (64-17-5))
Formula C₈H₁₀N₂O₄
Boiling Point 552.885 °C at 760 mmHg
Molecular Weight 198.178
Flash Point 288.174 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Imidazole-4,5-dicarboxylicacid, 2-propyl- (6CI);IEM 1795;
PSA 103.28000
LogP 0.75860

Synthetic route

: 51802-42-7
2-propylimidazole-4,5-dicarbonitrile

: 58954-23-7
2-propyl-1H-imidazole-4,5-dicarboxylic acid

Conditions

Conditions	Yield
With hydrogenchloride In water at 100℃; for 0.0333333h; Temperature;	96.5%
With hydrogenchloride; water for 4h; Reflux; Large scale reaction;	95%
With hydrogenchloride for 8h; Heating;	80%

: 5465-29-2
2-propyl-1H-benzimidazole

: 58954-23-7
2-propyl-1H-imidazole-4,5-dicarboxylic acid

Conditions

Conditions	Yield
With sodium tungstate; disodium hydrogenphosphate; potassium dihydrogenphosphate; dihydrogen peroxide In water at 100℃; for 1h; pH=4.9; Concentration; pH-value; Temperature;	85.5%
With sulfuric acid; dihydrogen peroxide In water at 100 - 120℃; for 0.5h; Concentration;	72%
With sulfuric acid; dihydrogen peroxide In water for 3h; Reflux;	35%

: 144689-94-1
2-propyl-1H-imidazole-4, 5-diethyl azodicarboxylate

: 58954-23-7
2-propyl-1H-imidazole-4,5-dicarboxylic acid

Conditions

Conditions	Yield
With sodium hydroxide In tetrahydrofuran at 50℃; for 4h;	85%

: 87-69-4
L-Tartaric acid

: 123-72-8
butyraldehyde

: 58954-23-7
2-propyl-1H-imidazole-4,5-dicarboxylic acid

Conditions

Conditions	Yield
Stage #1: L-Tartaric acid With sulfuric acid; nitric acid at 43 - 46℃; for 1.61667h; Stage #2: butyraldehyde With ammonium hydroxide In 1-methyl-pyrrolidin-2-one at -10 - 4℃; Solvent; Temperature;	46%

: 5465-29-2
2-propyl-1H-benzimidazole

A: 570-22-9
4,5-imidazoledicarboxylic acid

B: 58954-23-7
2-propyl-1H-imidazole-4,5-dicarboxylic acid

Conditions

Conditions	Yield
With sulfuric acid; dihydrogen peroxide In water at 100 - 130℃;	A 31% B 1%

: 123-72-8
butyraldehyde

dinitrate of/the/ (+)-tartaric acid: dinitrate of/the/ (+)-tartaric acid

: 58954-23-7
2-propyl-1H-imidazole-4,5-dicarboxylic acid

Conditions

Conditions	Yield
With ammonia

: 610-20-8
di-O-nitro-tartaric acid

: 123-72-8
butyraldehyde

: 58954-23-7
2-propyl-1H-imidazole-4,5-dicarboxylic acid

Conditions

Conditions	Yield
With ammonium hydroxide at 0℃; for 0.5h;	97 g

: 43083-12-1
1,1,1-trimethoxybutane

: 1187-42-4
diaminomaleonitrile

: 58954-23-7
2-propyl-1H-imidazole-4,5-dicarboxylic acid

Conditions

Conditions	Yield
In methanol Reflux;

: 67-56-1
methanol

: 58954-23-7
2-propyl-1H-imidazole-4,5-dicarboxylic acid

: 124750-59-0
2-propyl-4,5-bis(methoxycarbonyl)-imidazole

Conditions

Conditions	Yield
With thionyl chloride at 40 - 45℃; Large scale reaction;	96%
With thionyl chloride at 43℃; for 11h;
Stage #1: methanol; 2-propyl-1H-imidazole-4,5-dicarboxylic acid With thionyl chloride Reflux; Stage #2: With sodium hydroxide In water for 0.25h;

: 58954-23-7
2-propyl-1H-imidazole-4,5-dicarboxylic acid

: 64-17-5
ethanol

: 144689-94-1
2-propyl-1H-imidazole-4, 5-diethyl azodicarboxylate

Conditions

Conditions	Yield
Stage #1: 2-propyl-1H-imidazole-4,5-dicarboxylic acid; ethanol With hydrogenchloride; thionyl chloride at 5℃; for 0.166667h; Stage #2: for 1.5h; Heating;	94%
With hydrogenchloride Ambient temperature;	86%
With thionyl chloride In water at 8℃; for 6.6h; Temperature; Reflux;	77%
at 0℃; for 12h; Reflux;

: cobalt(II) nitrate hexahydrate

: 58954-23-7
2-propyl-1H-imidazole-4,5-dicarboxylic acid

: 7732-18-5
water

: 67-68-5
dimethyl sulfoxide

: C16H22CoN4O10*2C2H6OS

Conditions

Conditions	Yield
In methanol at 80℃; for 72h;	88.49%

...Expand

: cobalt(II) chloride hexahydrate

: 58954-23-7
2-propyl-1H-imidazole-4,5-dicarboxylic acid

: [Co3(pimda)2(H2O)5]

Conditions

Conditions	Yield
With triethylamine In water at 170℃; for 96h; Autoclave;	84%

: 58954-23-7
2-propyl-1H-imidazole-4,5-dicarboxylic acid

: 7732-18-5
water

: 7646-85-7
zinc(II) chloride

: diaquabis(2-propyl-4,5-imidazoledicarboxylato)zinc(II) tetrahydrate

Conditions

Conditions	Yield
In ethanol; water ligand dissolved in H2O at room temp., mixed with EtOH soln. of ZnCl2, heated at 70°C for 8 h; crystd. at room temp. for 5 d, washed (H2O), elem. anal.;	81.3%
In ethanol; water imidazole-compd. dissolved in H2O, Zn-compd. dissolved in EtOH, two solution mixed, heated to 70°C for 8 h; filtered, evaporated at room temp. for 5 d, washed with H2O, elem. anal.;	81.3%

...Expand

: 58954-23-7
2-propyl-1H-imidazole-4,5-dicarboxylic acid

: 5970-45-6
zinc(II) acetate dihydrate

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

: diaquabis(2-propyl-4,5-imidazoledicarboxylato)zinc(II) - N,N-dimethylformamide (1/2)

Conditions

Conditions	Yield
In water; N,N-dimethyl-formamide ligand dissolved in H2O at room temp., mixed with DMF soln. of Zn(CH3COO)2*2H2O, refluxed for 8 h; crystd. at room temp. for 15 d, washed (H2O), elem. anal.;	78%
In water; N,N-dimethyl-formamide imidazole-compd. dissolved in H2O at room temp., Zn-compd. dissolved in DMF, two solution mixed, refluxed for 8 h; filtered, evaporated at room temp. for 15 d, washed with H2O, elem. anal.;	78%

...Expand

: cadmium(II) nitrate tetrhydrate

: 58954-23-7
2-propyl-1H-imidazole-4,5-dicarboxylic acid

: 7732-18-5
water

: Cd(2-propyl-1H-imidazole-4,5-dicarboxylic acid(-1H))2(H2O)2*4H2O

Conditions

Conditions	Yield
With 3,3',4,4'-biphenyltetracarboxylic acid In water mixt. of acid and Cd(NO3)2*4H2O dissolved in H2O; stirred for 0.5 h; heated at 75°C for 3 d; elem. anal.;	77%

...Expand

: 58954-23-7
2-propyl-1H-imidazole-4,5-dicarboxylic acid

: 6046-93-1
copper(II) acetate monohydrate

: [Cu(2-propylimidazole-4-carboxylato-5-carboxylic acid)2]n

Conditions

Conditions	Yield
In water at 20 - 130℃; Sealed tube;	75%

: cadmium(II) nitrate tetrhydrate

: 58954-23-7
2-propyl-1H-imidazole-4,5-dicarboxylic acid

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

: [Cd2(2-propyl-1H-imidazole-4,5-dicarboxylic acid(-2H))2(DMF)2

Conditions

Conditions	Yield
With benzidine; terephthalic acid In water; N,N-dimethyl-formamide mixt. of imidazole deriv., Cd nitrate, benzidine, terephthalic adcid heated in mixt. DMF/H2O heated at 75°C for 48 h; washed by water, dried in air; elem. anal.;	74%

...Expand

: 58954-23-7
2-propyl-1H-imidazole-4,5-dicarboxylic acid

: 557-34-6
zinc diacetate

: 7732-18-5
water

: Zn(2-propyl-1H-imidazole-4,5-dicarboxylic acid(-1H))2(H2O)2*3.5H2O

Conditions

Conditions	Yield
With 3,3',4,4'-biphenyltetracarboxylic acid In water mixt. of acid and Zn(OAc)2 dissolved in H2O; stirred for 0.5 h; heated at 75°C for 3 d; elem. anal.;	72%

...Expand

: 553-26-4
4,4'-bipyridine

: manganese (II) sulfate monohydrate

: 58954-23-7
2-propyl-1H-imidazole-4,5-dicarboxylic acid

: [Mn3(2-propyl-4,5-imidazoledicarboxylate(2-))2(2-propyl-4,5-imidazoledicarboxylate(1-))2(4,4'-bipyridine)2(H2O)2]n

Conditions

Conditions	Yield
With sodium hydroxide In ethanol; water; acetonitrile at 130℃; for 48h; pH=6.5; Sealed tube; High pressure;	71%

...Expand

: 58954-23-7
2-propyl-1H-imidazole-4,5-dicarboxylic acid

: 5743-04-4
cadmium(II) acetate dihydrate

: [Cd(2-propyl-4,5-imidazoledicarboxylic acid(-1H))2]n

Conditions

Conditions	Yield
Stage #1: 2-propyl-1H-imidazole-4,5-dicarboxylic acid With sodium hydroxide In water at 20℃; pH=6; Stage #2: cadmium(II) acetate dihydrate In ethanol; water at 75℃; for 8h;	70.8%
Stage #1: 2-propyl-1H-imidazole-4,5-dicarboxylic acid; cadmium(II) acetate dihydrate In water for 0.333333h; Stage #2: In water at 180℃; for 120h; Sealed tube;	35.2%

: copper(II) choride dihydrate

: 58954-23-7
2-propyl-1H-imidazole-4,5-dicarboxylic acid

: 1233863-63-2
[Cu(2-propyl-4,5-imidazoledicarboxylic acid(-1H))2]

Conditions

Conditions	Yield
Stage #1: 2-propyl-1H-imidazole-4,5-dicarboxylic acid With sodium hydroxide In water at 20℃; pH=6.5; Stage #2: copper(II) choride dihydrate In ethanol; water at 70℃; for 8h;	70.8%

: lead(II) acetate trihydrate

: 58954-23-7
2-propyl-1H-imidazole-4,5-dicarboxylic acid

: [Pb(2-propyl-4,5-imidazoledicarboxylic acid(-1H))2(water)2]n

Conditions

Conditions	Yield
Stage #1: 2-propyl-1H-imidazole-4,5-dicarboxylic acid With sodium hydroxide In water at 20℃; pH=6; Stage #2: lead(II) acetate trihydrate In ethanol; water at 75℃; for 8h;	70.8%

: 66-71-7
1,10-Phenanthroline

: cobalt(II) nitrate hexahydrate

: 58954-23-7
2-propyl-1H-imidazole-4,5-dicarboxylic acid

: 7732-18-5
water

: 1389320-06-2
[Co(2-propyl-1H-imidazole-4,5-dicarboxylic acid(-3H))(1,10-phenanthroline)]*H2O

Conditions

Conditions	Yield
In water High Pressure; Co compd., ligand, and phen (1:1:1 molar ratio) in H2O, sealed, heated at 170°C for 3 d; cooled, crystd., septd., washed (H2O);	70%

...Expand

: lead(II) perchlorate trihydrate

: 58954-23-7
2-propyl-1H-imidazole-4,5-dicarboxylic acid

: 7732-18-5
water

: Pb(2-propyl-4,5-imidazole dicarboxylate(-1H))2

Conditions

Conditions	Yield
In water High Pressure; mixt. of Pb(ClO4)2*3H2O, acid and water stirred 1 h, sealed in Teflon reactor, heated at 160°C for 5 d; cooled to room temp. at 3°C/h; elem. anal.;	69.8%

...Expand

: 66-71-7
1,10-Phenanthroline

: cobalt(II) chloride hexahydrate

: 58954-23-7
2-propyl-1H-imidazole-4,5-dicarboxylic acid

: 7732-18-5
water

: 2C8H9N2O4(1-)*Co(2+)*H2O*C12H8N2

Conditions

Conditions	Yield
With hydrogenchloride In acetonitrile at 110℃; for 99h; pH=4; Autoclave; High pressure;	69%

...Expand

: 58954-23-7
2-propyl-1H-imidazole-4,5-dicarboxylic acid

: 7732-18-5
water

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

: [Co(2-propylimidazole-4,5-dicarboxylic acid(-H))2(H2O)2]*3H2O

Conditions

Conditions	Yield
With sodium hydroxide at 80℃; for 2h; pH=3.6;	68%
In water High Pressure; stoich. mixt. in H2O, sealed, heated at 130°C for 144 h; cooled to room temp. in 20 h, crystd., septd., washed (H2O), dried in air, elem. anal.;	56%

...Expand

: cobalt(II) nitrate hexahydrate

: 58954-23-7
2-propyl-1H-imidazole-4,5-dicarboxylic acid

: 1263036-89-0, 1263416-17-6
diaquabis(2-propyl-1H-imidazole-4,5-dicarboxylate)cobalt(II)

Conditions

Conditions	Yield
In water; acetonitrile High Pressure; mixt. of Co(NO3)2*6H2O and imidazole dicarboxylic acid (1:1) in H2O/CH3CN heated in an autoclave at 152°C for 72 h; cooled to room temp. (10°C/h), collected, washed (h2O), dried (air), elem. anal.;	68%

: 69506-86-1
1,1'-(1,4-butanediyl)bis(imidazole)

: cadmium(II) perchlorate hexahydrate

: 58954-23-7
2-propyl-1H-imidazole-4,5-dicarboxylic acid

: 7732-18-5
water

: [Cd2(2-propyl-4,5-imidazoledicarboxylic acid(-1H))2(1,1'-(1,4-butanediyl)bis(imidazole))0.5(H2O)2]

Conditions

Conditions	Yield
In water High Pressure; Zn compd., ligand, and bbi (2:2:1 molar ratio) in H2O, sealed, heated at140°C for 3 h; cooled (5°C), elem. anal.;	67%

...Expand

: 58954-23-7
2-propyl-1H-imidazole-4,5-dicarboxylic acid

: 7732-18-5
water

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

: 78-90-0, 10424-38-1
1,2-diaminopropan

: 4C3H10N2*4Co(3+)*9H2O*4C8H7N2O4(3-)

Conditions

Conditions	Yield
at 120℃; for 24h; Autoclave;	67%

...Expand

: cadmium(II) perchlorate

: 17252-51-6
1,3-di(4-pyridyl)propane

: 58954-23-7
2-propyl-1H-imidazole-4,5-dicarboxylic acid

: 7732-18-5
water

: 2Cd(2+)*2(C3H7)C3HN2(COO)2(2-)*C5H4N(CH2)3C5H4N*H2O=[Cd2((C3H7)C3HN2(COO)2)2(C5H4N(CH2)3C5H4N)(H2O)]

Conditions

Conditions	Yield
In water High Pressure; Cd compd.:H2pimdc:bpp (1:1:5 molar ratio) in water, sealed, heated at 140°C for 3 d; crystd. on cooling to room temp., elem. anal.;	66%

...Expand

: 66-71-7
1,10-Phenanthroline

: 58954-23-7
2-propyl-1H-imidazole-4,5-dicarboxylic acid

: copper(II) ion

: [Cu(3-propyl-4,5-dicarboxy-1H-imidazole(1-))2(1,10-phenanthroline)]

Conditions

Conditions	Yield
In water High Pressure; hydrothermal synthesis; 3-propyl-4,5-dicarboxy-1H-imidazole, 1,10-phenanthroline, Cu salt, H2O stirred for 10 min; heated in a sealed Teflon-lined stainless steel autoclave at 170°C for 72 h; cooled to room temp. with 5°C/h; washed with H2O; dried in air; elem. anal.;	66%

...Expand

: manganese (II) sulfate monohydrate

: 58954-23-7
2-propyl-1H-imidazole-4,5-dicarboxylic acid

: 1256502-07-4, 1374450-98-2
diaquabis(2-propyl-1H-imidazole-4,5-dicarboxylate)manganese(II)

Conditions

Conditions	Yield
In water; acetonitrile High Pressure; mixt. of MnSO4*H2O and imidazole dicarboxylic acid (1:1) in H2O/CH3CN heated in an autoclave at 152°C for 72 h; cooled to room temp. (10°C/h), collected, washed (h2O), dried (air), elem. anal.;	65%

: cobalt(II) chloride hexahydrate

: 58954-23-7
2-propyl-1H-imidazole-4,5-dicarboxylic acid

: 7325-46-4
1,4-phenylenediacetic acid

: 3Co(2+)*6C8H7N2O4(3-)*C10H10O4*6H2O*12H(1+)

Conditions

Conditions	Yield
In ethanol; water at 130℃; for 78h; pH=6; Autoclave;	65%

...Expand

: 66-71-7
1,10-Phenanthroline

: iron(II) chloride tetrahydrate

: 58954-23-7
2-propyl-1H-imidazole-4,5-dicarboxylic acid

: 7732-18-5
water

: 2C8H9N2O4(1-)*Fe(2+)*H2O*C12H8N2

Conditions

Conditions	Yield
With hydrogenchloride In acetonitrile at 100℃; for 99h; pH=2; Autoclave; High pressure;	65%

...Expand

: 366-18-7
[2,2]bipyridinyl

: manganese (II) sulfate monohydrate

: 58954-23-7
2-propyl-1H-imidazole-4,5-dicarboxylic acid

: [Mn(2-propyl-4,5-imidazoledicarboxylate(1-))2(2,2'-bipyridine)]

Conditions

Conditions	Yield
With sodium hydroxide In ethanol; water; acetonitrile at 130℃; for 48h; pH=6; Sealed tube; High pressure;	63%

...Expand

2-Propyl-1H-imidazole-4,5-dicarboxy acid Specification

The 1H-Imidazole-4,5-dicarboxylicacid, 2-propyl-, with the CAS registry number 58954-23-7, has the systematic name of 2-propyl-1H-imidazole-4,5-dicarboxylic acid. This chemical is usually applied as the intermediate of antar tablet Olmesartan, with the product categories including organic acids; API intermediates.

The characteristics of this chemical are as follows: (1)ACD/LogP: 1.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4; (4)ACD/LogD (pH 7.4): -5; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 6; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 103.28 ; (13)Index of Refraction: 1.608; (14)Molar Refractivity: 46.82 cm³; (15)Molar Volume: 135.363 cm³; (16)Polarizability: 18.561 ×10^-24 cm³; (17)Surface Tension: 77.525 dyne/cm; (18)Density: 1.464 g/cm³; (19)Flash Point: 288.174 °C; (20)Enthalpy of Vaporization: 87.714 kJ/mol; (21)Boiling Point: 552.885 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

In addition, you could convert the following datas into the molecular structure:
(1)SMILES:O=C(O)c1nc(nc1C(=O)O)CCC
(2)InChI:InChI=1/C8H10N2O4/c1-2-3-4-9-5(7(11)12)6(10-4)8(13)14/h2-3H2,1H3,(H,9,10)(H,11,12)(H,13,14)
(3)InChIKey:BGPZYJSOTDBJMV-UHFFFAOYAI

Product Name

2-Propyl-1H-imidazole-4,5-dicarboxy acid

Synthetic route

2-Propyl-1H-imidazole-4,5-dicarboxy acid Specification

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