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Name	4-Methyl-2-n-propyl-1H-benzimidazole-6-carboxylic acid	EINECS	1533716-785-6
CAS No.	152628-03-0	Density	1.259 g/cm³
PSA	65.98000	LogP	2.52200
Solubility	N/A	Melting Point	300 °C
Formula	C₁₂H₁₄N₂O₂	Boiling Point	491.8 °C at 760 mmHg
Molecular Weight	218.255	Flash Point	251.2 °C
Transport Information	N/A	Appearance	Light brown powder
Safety		Risk Codes	N/A
Molecular Structure		Hazard Symbols	N/A
Synonyms	4-Methyl-2-propyl-6-benzimidazolecarboxylicacid;	Article Data	17

4-Methyl-2-n-propyl-1H-benzimidazole-6-carboxylic acid Synthetic route

: C12H16N2O2

: 152628-03-0
4-methyl-2-n-propyl-1H-benzimidazole-6-carboxylic acid

Conditions

Conditions	Yield
With sodium hypochlorite; sodium hydroxide In water at 16℃; for 0.5h; Temperature;	97%

: 152628-01-8
4-butyrylamino-3-methyl-5-nitro-benzoic acid methyl ester

: 152628-03-0
4-methyl-2-n-propyl-1H-benzimidazole-6-carboxylic acid

Conditions

Conditions	Yield
With sodium dithionite; water at 70 - 100℃;	96.4%
Multi-step reaction with 3 steps 1: 92 percent / aq. hydrazine / Raney Ni / methanol / 20 °C 2: 90 percent / acetic acid / 2 h / Heating 3: 82.3 percent / NaOH; water / methanol / 2 h / Heating View Scheme
Multi-step reaction with 3 steps 1: H2 / 10percent Pd/C / methanol / 50 °C / 3750.3 Torr 2: glacial CH3COOH / 1.5 h / Heating 3: 5.46 g / aq. NaOH / methanol / 2 h / Heating View Scheme

: 37901-95-4
3,4-diamino-5-methylbenzoic acid

: 24964-76-9
triethyl orthobutyrate

: 152628-03-0
4-methyl-2-n-propyl-1H-benzimidazole-6-carboxylic acid

Conditions

Conditions	Yield
With methanesulfonic acid In N,N-dimethyl-formamide at 70℃; for 9h; Reagent/catalyst; Temperature;	94.4%

: 201230-82-2
carbon monoxide

: 215239-53-5
6-bromo-4-methyl-2-propylbenzimidazole

: 152628-03-0
4-methyl-2-n-propyl-1H-benzimidazole-6-carboxylic acid

Conditions

Conditions	Yield
With water; potassium carbonate; triphenylphosphine; palladium dichloride In 1,4-dioxane at 60 - 100℃; under 6750.68 - 10501.1 Torr; for 49.5h; Product distribution / selectivity; Autoclave;	89%

: 2-n-propyl-4,6-dimethylbenzimidazole

: 152628-03-0
4-methyl-2-n-propyl-1H-benzimidazole-6-carboxylic acid

Conditions

Conditions	Yield
With N-hydroxyphthalimide; oxygen; cobalt(II) 2-ethylhexanoate; acetic acid at 110℃; under 7500.75 Torr; for 2h;	88.8%

: 152628-00-7
4-methyl-2-propyl-1H-benzimidazole-6-carboxylic acid methyl ester

: 152628-03-0
4-methyl-2-n-propyl-1H-benzimidazole-6-carboxylic acid

Conditions

Conditions	Yield
With sodium hydroxide; water In methanol for 2h; Heating;	82.3%
With water; sodium hydroxide In methanol at 80℃; Product distribution / selectivity;	80%
With sodium hydroxide In methanol for 2h; Heating;	5.46 g

: 18595-14-7
methyl 4-amino-3-methylbenzoate

: 141-75-3
butyryl chloride

: 152628-03-0
4-methyl-2-n-propyl-1H-benzimidazole-6-carboxylic acid

Conditions

Conditions	Yield
Stage #1: methyl 4-amino-3-methylbenzoate; butyryl chloride With triethylamine In dichloromethane at 0℃; Stage #2: With sulfuric acid; nitric acid In dichloromethane at -20℃; Further stages;	52%

: 110-62-3
pentanal

: 37901-94-3
4-amino-3-methyl-5-nitrobenzoic acid

: 152628-03-0
4-methyl-2-n-propyl-1H-benzimidazole-6-carboxylic acid

Conditions

Conditions	Yield
With sodium dithionite In ethanol; water at 70℃; for 2h;	37%

: 153036-72-7
7-methyl-2-propyl-3H-benzimidazole-5-carbonitrile

: 152628-03-0
4-methyl-2-n-propyl-1H-benzimidazole-6-carboxylic acid

Conditions

Conditions	Yield
With hydrogenchloride; water In 1,4-dioxane at 100℃; for 16h;	30%

: 3113-71-1
3-methyl-4-nitrobenzoic acid

: 152628-03-0
4-methyl-2-n-propyl-1H-benzimidazole-6-carboxylic acid

Conditions

Conditions	Yield
Multi-step reaction with 7 steps 1: 74.3 percent / sulfuric acid / 2 h / Heating 2: 92.1 percent / aq. hydrazine / Raney Ni / methanol / 20 °C 3: 79.6 percent / triethylamine / CH2Cl2 / 1 h / 20 °C 4: 75.6 percent / nitric acid / 1.5 h / -20 - -15 °C 5: 92 percent / aq. hydrazine / Raney Ni / methanol / 20 °C 6: 90 percent / acetic acid / 2 h / Heating 7: 82.3 percent / NaOH; water / methanol / 2 h / Heating View Scheme
Multi-step reaction with 4 steps 1: palladium 10% on activated carbon; hydrogen / methanol / 30 - 45 °C / 750.08 - 7500.75 Torr / Autoclave 2: bromine / methanol / 0 - 10 °C 3: triethylamine; potassium carbonate; N,N,N,N,-tetramethylethylenediamine; sodium azide; copper(l) chloride / N,N-dimethyl-formamide; water / pH Ca. 8 / Inert atmosphere; Reflux 4: N,N-dimethyl-formamide / 0 - 5 °C View Scheme

Yield

Multi-step reaction with 7 steps
1: 74.3 percent / sulfuric acid / 2 h / Heating
2: 92.1 percent / aq. hydrazine / Raney Ni / methanol / 20 °C
3: 79.6 percent / triethylamine / CH2Cl2 / 1 h / 20 °C
4: 75.6 percent / nitric acid / 1.5 h / -20 - -15 °C
5: 92 percent / aq. hydrazine / Raney Ni / methanol / 20 °C
6: 90 percent / acetic acid / 2 h / Heating
7: 82.3 percent / NaOH; water / methanol / 2 h / Heating
View Scheme

Multi-step reaction with 4 steps
1: palladium 10% on activated carbon; hydrogen / methanol / 30 - 45 °C / 750.08 - 7500.75 Torr / Autoclave
2: bromine / methanol / 0 - 10 °C
3: triethylamine; potassium carbonate; N,N,N,N,-tetramethylethylenediamine; sodium azide; copper(l) chloride / N,N-dimethyl-formamide; water / pH Ca. 8 / Inert atmosphere; Reflux
4: N,N-dimethyl-formamide / 0 - 5 °C
View Scheme

4-Methyl-2-n-propyl-1H-benzimidazole-6-carboxylic acid Chemical Properties

Molecular Formula: C₁₂H₁₄N₂O₂Molecular Weight: 218.25 g/mol
Canonical SMILES: O=C(O)c2cc1c(nc(n1)CCC)c(c2)C
InChI: InChI=1/C12H14N2O2/c1-3-4-10-13-9-6-8(12(15)16)5-7(2)11(9)14-10/h5-6H,3-4H2,1-2H3,(H,13,14)(H,15,16)
Mol File: 152628-03-0.mol
Product Categories: Intermediatesof; Imidazol & Benzimidazole;Imidazoles; Aromatics
H bond acceptors: 4
H bond donors: 2
Freely Rotating Bonds: 3
Polar Surface Area: 65.98
Index of Refraction: 1.642
Molar Refractivity: 62.557 cm³
Molar Volume: 173.224 cm³
Polarizability: 24.8×10^-24cm³
Surface Tension: 59.455 dyne/cm
Density: 1.26 g/cm³
Flash Point: 251.219 °C
Enthalpy of Vaporization: 79.892 kJ/mol
Boiling Point: 491.779 °C at 760 mmHg
Melting Point: 300 °C
Vapour Pressure of 4-Methyl-2-n-propyl-1H-benzimidazole-6-carboxylic acid (CAS NO.152628-03-0): 0 mmHg at 25 °C

4-Methyl-2-n-propyl-1H-benzimidazole-6-carboxylic acid Uses

4-Methyl-2-n-propyl-1H-benzimidazole-6-carboxylic acid (CAS NO.152628-03-0) is a useful synthetic intermediate.

4-Methyl-2-n-propyl-1H-benzimidazole-6-carboxylic acid Specification

1. 4-Methyl-2-n-propyl-1H-benzimidazole-6-carboxylic acid (CAS NO.152628-03-0), its Synonyms are 4-Methyl-2-propyl-1H-benzimidazole-6-carboxylic acid ; 4-Methyl-2-propyl-6-carboxy benzimidazole ; 2-N-propyl-4-methyl-6-carboxy-benzimidazole ; 2-N-propyl-4-methylbenzimidazole-6-carboxylic acid ; 2-Propyl-4-methyl-6-carboxylic benzimidazole ; 4-Methyl-2-propyl-1h-benzimidazole-6-carboxyboxylic acid;1H-benzimidazole-6-carboxylic-4-Methyl-2-propyl . It is Light Yellow to Tan Powder.
2. 4-Methyl-2-n-propyl-1H-benzimidazole-6-carboxylic acid , its raw materials are Methanol ; Sulfuric acid ; Acetic acid glacial ; Nitric acid ; Triethylamine ; Nickel ; Hydrazine hydrate ; Butyryl chloride ; 3-Methyl-4-nitrobenzoic acid .

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