4'-[(2-Butyl-4-chloro-5-hydroxymethyl-1H-imidazol-1-yl)methyl]-1,1'-biphenyl-2-carbonitrile supplier

Name
4’-[(2-butyl-4-chloro-5-hydroxymethyl)-1H-imidazol-1-yl)methyl]-[1,1’-Biphenyl]-2-carbonitrile
EINECS
CAS No. 114772-55-3
Article Data250
CAS DataBase
Density 1.191 g/cm³
Solubility
Melting Point
Formula C₂₂H₂₂ClN₃O
Boiling Point 605.615 °C at 760 mmHg
Molecular Weight 379.889
Flash Point 320.065 °C
Transport Information
Appearance white
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Butyl-4-chloro-1-[(2'-cyanobiphenyl-4-yl)methyl]-5-hydroxymethylimidazole;4'-(2-Butyl-4-chloro-5-hydroxymethyl-1H-imidazol-1-yl)-1,1'-biphenyl-2-carbonitrile;
PSA 61.84000
LogP 4.95838

Synthetic route

: 124750-67-0
2-n-Butyl-4-chloro-1-[(2'-cyanobiphenyl-4-yl)methyl]imidazole-5-carboxaldehyde

: 114772-55-3
2-n-Butyl-4-chloro-1-[(2'-cyanobiphenyl-4-yl)-methyl]-5-(hydroxymethyl)imidazole

Conditions

Conditions	Yield
With methanol; sodium tetrahydroborate In toluene at 25 - 45℃; for 4h; Product distribution / selectivity;	100%
With sodium tetrahydroborate In methanol at 0℃; for 0.5h;	83.7%
With sodium tetrahydroborate In methanol at -12 - -10℃; Inert atmosphere; Large scale;	71.2%

: 83857-96-9
2-n-butyl-4-chloro-1H-imidazol-5-carboxaldehyde

: 114772-54-2
4'-(bromomethyl)-1,1'-biphenyl-2-carbonitrile

: 114772-55-3
2-n-Butyl-4-chloro-1-[(2'-cyanobiphenyl-4-yl)-methyl]-5-(hydroxymethyl)imidazole

Conditions

Conditions	Yield
Stage #1: 2-n-butyl-4-chloro-1H-imidazol-5-carboxaldehyde; 4'-(bromomethyl)-1,1'-biphenyl-2-carbonitrile With potassium carbonate In 1-methyl-pyrrolidin-2-one at 70 - 75℃; Stage #2: With sodium tetrahydroborate In 1-methyl-pyrrolidin-2-one at 30℃; Stage #3: With water In 1-methyl-pyrrolidin-2-one; isopropyl alcohol at 75 - 80℃; for 1.5h;	88%
With tetrabutylammomium bromide; sodium hydroxide In water; toluene at 20℃;
With tetrabutylammomium bromide; water; sodium hydroxide In toluene at 20℃;

: potassium (2-cyanophenyl)trifluoroborate

: 151012-31-6
2-n-Butyl-4-chloro-1-(4-bromobenzyl)-1H-imidazole-5-methanol

: 114772-55-3
2-n-Butyl-4-chloro-1-[(2'-cyanobiphenyl-4-yl)-methyl]-5-(hydroxymethyl)imidazole

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine; palladium diacetate; tris-(o-tolyl)phosphine In ethanol; water for 18h; Product distribution / selectivity; Heating / reflux;	84%
With N-ethyl-N,N-diisopropylamine; palladium diacetate; triphenylphosphine In ethanol; water for 18h; Product distribution / selectivity; Heating / reflux;
Stage #1: triisopropyl phosphite; triphenylphosphine; palladium dichloride In tetrahydrofuran at 25℃; Stage #2: potassium (2-cyanophenyl)trifluoroborate; 2-n-Butyl-4-chloro-1-(4-bromobenzyl)-1H-imidazole-5-methanol With N-ethyl-N,N-diisopropylamine In tetrahydrofuran; ethanol; water at 25℃; for 18h; Product distribution / selectivity; Heating / reflux;
Stage #1: palladium diacetate; tris-(o-tolyl)phosphine In tetrahydrofuran at 25 - 60℃; for 0.5h; Stage #2: potassium (2-cyanophenyl)trifluoroborate; 2-n-Butyl-4-chloro-1-(4-bromobenzyl)-1H-imidazole-5-methanol With N-ethyl-N,N-diisopropylamine In tetrahydrofuran; ethanol; water at 25℃; for 18h; Product distribution / selectivity; Heating / reflux;

: 79047-41-9
2-n-butyl-4-chloro-5-hydroxymethylimidazole

: 114772-54-2
4'-(bromomethyl)-1,1'-biphenyl-2-carbonitrile

: 114772-55-3
2-n-Butyl-4-chloro-1-[(2'-cyanobiphenyl-4-yl)-methyl]-5-(hydroxymethyl)imidazole

Conditions

Conditions	Yield
Stage #1: 2-n-butyl-4-chloro-5-hydroxymethylimidazole With sodium methylate In N,N-dimethyl-formamide at 25℃; for 0.5h; Stage #2: 4'-(bromomethyl)-1,1'-biphenyl-2-carbonitrile In N,N-dimethyl-formamide at 20℃; for 24h;	40%
With sodium methylate 1.) DMF, 25 deg C, 0.25 h, 2.) DMF, 40 deg C, 4 h; Multistep reaction;

: 57246-71-6
methyl pentanimidate

: 114772-55-3
2-n-Butyl-4-chloro-1-[(2'-cyanobiphenyl-4-yl)-methyl]-5-(hydroxymethyl)imidazole

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1.1: NaOH / H2O; methanol; toluene 1.2: 55 percent / POCl3 / toluene / 2 h / 100 °C 2.1: 90 percent / NaBH4 / methanol / 2 h / 20 °C 3.1: NaOMe / dimethylformamide / 0.5 h / 25 °C 3.2: 40 percent / dimethylformamide / 24 h / 20 °C View Scheme
Multi-step reaction with 4 steps 1: sodium methylate / methanol / 2 h / 0 °C / Green chemistry 2: trichlorophosphate / toluene / 2 h / 60 - 100 °C / Green chemistry 3: potassium carbonate / N,N-dimethyl-formamide / 6 h / 40 °C / Green chemistry 4: sodium tetrahydroborate / methanol / 1.17 h / 20 - 40 °C / Green chemistry View Scheme

: 83857-96-9
2-n-butyl-4-chloro-1H-imidazol-5-carboxaldehyde

: 114772-55-3
2-n-Butyl-4-chloro-1-[(2'-cyanobiphenyl-4-yl)-methyl]-5-(hydroxymethyl)imidazole

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: 90 percent / NaBH4 / methanol / 2 h / 20 °C 2.1: NaOMe / dimethylformamide / 0.5 h / 25 °C 2.2: 40 percent / dimethylformamide / 24 h / 20 °C View Scheme
Multi-step reaction with 2 steps 1: potassium carbonate / N,N-dimethyl-formamide / 6 h / 40 °C / Green chemistry 2: sodium tetrahydroborate / methanol / 1.17 h / 20 - 40 °C / Green chemistry View Scheme
Multi-step reaction with 2 steps 1: potassium carbonate / N,N-dimethyl-formamide / 12 h / -10 °C / Inert atmosphere 2: sodium tetrahydroborate / methanol / 0.5 h / 0 °C View Scheme
Multi-step reaction with 2 steps 1: potassium carbonate / N,N-dimethyl acetamide / 5 h / 20 °C 2: sodium tetrahydroborate / methanol; N,N-dimethyl acetamide / 1 h / 5 - 20 °C View Scheme
Multi-step reaction with 2 steps 1: sodium carbonate; tetraethylammonium bromide / toluene / 90 - 95 °C 2: sodium tetrahydroborate; sodium hydroxide / water / 20 - 85 °C View Scheme

: 57598-33-1
2-(2-methoxyphenyl)-4,4-dimethyl-2-oxazoline

: 114772-55-3
2-n-Butyl-4-chloro-1-[(2'-cyanobiphenyl-4-yl)-methyl]-5-(hydroxymethyl)imidazole

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: tetrahydrofuran / 2 h / 20 °C 2: 96 percent / pyridine, phosphorus oxychloride / 3 h / 100 °C 3: N-bromosuccinimide, dibenzoyl peroxide / CCl4 / 3 h / Heating 4: 1.) sodium methoxide / 1.) DMF, 25 deg C, 0.25 h, 2.) DMF, 40 deg C, 4 h View Scheme

: 114772-53-1
2-Cyano-4'-methylbiphenyl

: 114772-55-3
2-n-Butyl-4-chloro-1-[(2'-cyanobiphenyl-4-yl)-methyl]-5-(hydroxymethyl)imidazole

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: N-bromosuccinimide, dibenzoyl peroxide / CCl4 / 3 h / Heating 2: 1.) sodium methoxide / 1.) DMF, 25 deg C, 0.25 h, 2.) DMF, 40 deg C, 4 h View Scheme
Multi-step reaction with 3 steps 1: 1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione; 2,2'-azobis(isobutyronitrile) / dichloromethane / 24 h / 40 - 42 °C / Reflux; Large scale 2: potassium carbonate / N,N-dimethyl acetamide / 4 h / -12 - -8 °C / Inert atmosphere; Large scale 3: sodium tetrahydroborate / methanol / -12 - -10 °C / Inert atmosphere; Large scale View Scheme
Multi-step reaction with 3 steps 1: N-Bromosuccinimide; 2,2'-azobis(isobutyronitrile) / tetrachloromethane / 3 h / 80 °C / Green chemistry 2: potassium carbonate / N,N-dimethyl-formamide / 6 h / 40 °C / Green chemistry 3: sodium tetrahydroborate / methanol / 1.17 h / 20 - 40 °C / Green chemistry View Scheme

: 74201-13-1
N-(2-hydroxy-1,1-dimethyl)-2-methoxybenzamide

: 114772-55-3
2-n-Butyl-4-chloro-1-[(2'-cyanobiphenyl-4-yl)-methyl]-5-(hydroxymethyl)imidazole

Conditions

Conditions	Yield
Multi-step reaction with 5 steps 1: thionyl chloride / 1 h / 25 °C 2: tetrahydrofuran / 2 h / 20 °C 3: 96 percent / pyridine, phosphorus oxychloride / 3 h / 100 °C 4: N-bromosuccinimide, dibenzoyl peroxide / CCl4 / 3 h / Heating 5: 1.) sodium methoxide / 1.) DMF, 25 deg C, 0.25 h, 2.) DMF, 40 deg C, 4 h View Scheme

: 84392-32-5
4,4-dimethyl-2-(4'-methyl-biphenyl-2-yl)-4,5-dihydrooxazole

: 114772-55-3
2-n-Butyl-4-chloro-1-[(2'-cyanobiphenyl-4-yl)-methyl]-5-(hydroxymethyl)imidazole

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: 96 percent / pyridine, phosphorus oxychloride / 3 h / 100 °C 2: N-bromosuccinimide, dibenzoyl peroxide / CCl4 / 3 h / Heating 3: 1.) sodium methoxide / 1.) DMF, 25 deg C, 0.25 h, 2.) DMF, 40 deg C, 4 h View Scheme

: 579-75-9
2-Methoxybenzoic acid

: 114772-55-3
2-n-Butyl-4-chloro-1-[(2'-cyanobiphenyl-4-yl)-methyl]-5-(hydroxymethyl)imidazole

Conditions

Conditions	Yield
Multi-step reaction with 7 steps 1: 95 percent / thionyl chloride / 18 h / 20 °C 2: CH2Cl2 / 2 h / 20 °C 3: thionyl chloride / 1 h / 25 °C 4: tetrahydrofuran / 2 h / 20 °C 5: 96 percent / pyridine, phosphorus oxychloride / 3 h / 100 °C 6: N-bromosuccinimide, dibenzoyl peroxide / CCl4 / 3 h / Heating 7: 1.) sodium methoxide / 1.) DMF, 25 deg C, 0.25 h, 2.) DMF, 40 deg C, 4 h View Scheme

: 21615-34-9
2-Methoxybenzoyl chloride

: 114772-55-3
2-n-Butyl-4-chloro-1-[(2'-cyanobiphenyl-4-yl)-methyl]-5-(hydroxymethyl)imidazole

Conditions

Conditions	Yield
Multi-step reaction with 6 steps 1: CH2Cl2 / 2 h / 20 °C 2: thionyl chloride / 1 h / 25 °C 3: tetrahydrofuran / 2 h / 20 °C 4: 96 percent / pyridine, phosphorus oxychloride / 3 h / 100 °C 5: N-bromosuccinimide, dibenzoyl peroxide / CCl4 / 3 h / Heating 6: 1.) sodium methoxide / 1.) DMF, 25 deg C, 0.25 h, 2.) DMF, 40 deg C, 4 h View Scheme

2-butyl-4(5)-chloro-5(4)-hydroxymethyl imidazole: 2-butyl-4(5)-chloro-5(4)-hydroxymethyl imidazole

: 114772-54-2
4'-(bromomethyl)-1,1'-biphenyl-2-carbonitrile

: 114772-55-3
2-n-Butyl-4-chloro-1-[(2'-cyanobiphenyl-4-yl)-methyl]-5-(hydroxymethyl)imidazole

Conditions

Conditions	Yield
With sodium methylate In N-methyl-acetamide; hexane; ethyl acetate; N,N-dimethyl-formamide
With sodium methylate In N-methyl-acetamide; hexane; ethyl acetate; N,N-dimethyl-formamide
With sodium methylate In N-methyl-acetamide; hexane; ethyl acetate; N,N-dimethyl-formamide

: 114772-54-2
4'-(bromomethyl)-1,1'-biphenyl-2-carbonitrile

: 114772-55-3
2-n-Butyl-4-chloro-1-[(2'-cyanobiphenyl-4-yl)-methyl]-5-(hydroxymethyl)imidazole

Conditions

Conditions	Yield
In hexane; ethyl acetate
Multi-step reaction with 2 steps 1: potassium carbonate / N,N-dimethyl acetamide / 4 h / -12 - -8 °C / Inert atmosphere; Large scale 2: sodium tetrahydroborate / methanol / -12 - -10 °C / Inert atmosphere; Large scale View Scheme
Multi-step reaction with 2 steps 1: potassium carbonate / N,N-dimethyl-formamide / 6 h / 40 °C / Green chemistry 2: sodium tetrahydroborate / methanol / 1.17 h / 20 - 40 °C / Green chemistry View Scheme
Multi-step reaction with 2 steps 1: potassium carbonate / N,N-dimethyl-formamide / 12 h / -10 °C / Inert atmosphere 2: sodium tetrahydroborate / methanol / 0.5 h / 0 °C View Scheme
Multi-step reaction with 2 steps 1: sodium carbonate; tetraethylammonium bromide / toluene / 90 - 95 °C 2: sodium tetrahydroborate; sodium hydroxide / water / 20 - 85 °C View Scheme

: 110-59-8
pentanonitrile

: 114772-55-3
2-n-Butyl-4-chloro-1-[(2'-cyanobiphenyl-4-yl)-methyl]-5-(hydroxymethyl)imidazole

Conditions

Conditions	Yield
Multi-step reaction with 5 steps 1: acetyl chloride / 2 h / 0 °C / 760.05 Torr / Green chemistry 2: sodium methylate / methanol / 2 h / 0 °C / Green chemistry 3: trichlorophosphate / toluene / 2 h / 60 - 100 °C / Green chemistry 4: potassium carbonate / N,N-dimethyl-formamide / 6 h / 40 °C / Green chemistry 5: sodium tetrahydroborate / methanol / 1.17 h / 20 - 40 °C / Green chemistry View Scheme

Yield

Multi-step reaction with 5 steps
1: acetyl chloride / 2 h / 0 °C / 760.05 Torr / Green chemistry
2: sodium methylate / methanol / 2 h / 0 °C / Green chemistry
3: trichlorophosphate / toluene / 2 h / 60 - 100 °C / Green chemistry
4: potassium carbonate / N,N-dimethyl-formamide / 6 h / 40 °C / Green chemistry
5: sodium tetrahydroborate / methanol / 1.17 h / 20 - 40 °C / Green chemistry
View Scheme

: 193140-43-1
(pentanimidoylamino)acetic acid

: 114772-55-3
2-n-Butyl-4-chloro-1-[(2'-cyanobiphenyl-4-yl)-methyl]-5-(hydroxymethyl)imidazole

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: trichlorophosphate / toluene / 2 h / 60 - 100 °C / Green chemistry 2: potassium carbonate / N,N-dimethyl-formamide / 6 h / 40 °C / Green chemistry 3: sodium tetrahydroborate / methanol / 1.17 h / 20 - 40 °C / Green chemistry View Scheme

: 873-32-5
2-Chlorobenzonitrile

: 114772-55-3
2-n-Butyl-4-chloro-1-[(2'-cyanobiphenyl-4-yl)-methyl]-5-(hydroxymethyl)imidazole

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1.1: manganese(ll) chloride; chloro-trimethyl-silane / tetrahydrofuran / -5 - 0 °C / Inert atmosphere; Green chemistry 1.2: 9 h / -5 - 25 °C / Inert atmosphere; Green chemistry 2.1: N-Bromosuccinimide; 2,2'-azobis(isobutyronitrile) / tetrachloromethane / 3 h / 80 °C / Green chemistry 3.1: potassium carbonate / N,N-dimethyl-formamide / 6 h / 40 °C / Green chemistry 4.1: sodium tetrahydroborate / methanol / 1.17 h / 20 - 40 °C / Green chemistry View Scheme

Yield

Multi-step reaction with 4 steps
1.1: manganese(ll) chloride; chloro-trimethyl-silane / tetrahydrofuran / -5 - 0 °C / Inert atmosphere; Green chemistry
1.2: 9 h / -5 - 25 °C / Inert atmosphere; Green chemistry
2.1: N-Bromosuccinimide; 2,2'-azobis(isobutyronitrile) / tetrachloromethane / 3 h / 80 °C / Green chemistry
3.1: potassium carbonate / N,N-dimethyl-formamide / 6 h / 40 °C / Green chemistry
4.1: sodium tetrahydroborate / methanol / 1.17 h / 20 - 40 °C / Green chemistry
View Scheme

: 696-61-7
4-tolylmagnesium chloride

: 114772-55-3
2-n-Butyl-4-chloro-1-[(2'-cyanobiphenyl-4-yl)-methyl]-5-(hydroxymethyl)imidazole

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1.1: manganese(ll) chloride; chloro-trimethyl-silane / tetrahydrofuran / -5 - 0 °C / Inert atmosphere; Green chemistry 1.2: 9 h / -5 - 25 °C / Inert atmosphere; Green chemistry 2.1: N-Bromosuccinimide; 2,2'-azobis(isobutyronitrile) / tetrachloromethane / 3 h / 80 °C / Green chemistry 3.1: potassium carbonate / N,N-dimethyl-formamide / 6 h / 40 °C / Green chemistry 4.1: sodium tetrahydroborate / methanol / 1.17 h / 20 - 40 °C / Green chemistry View Scheme

Yield

: 114772-55-3
2-n-Butyl-4-chloro-1-[(2'-cyanobiphenyl-4-yl)-methyl]-5-(hydroxymethyl)imidazole

: 114798-26-4
lorsartan

Conditions

Conditions	Yield
With sodium azide In 1-methyl-pyrrolidin-2-one	99%
With sodium azide In toluene at 20℃;	95%
With sodium azide; zinc trifluoromethanesulfonate In water at 100℃; for 6h; Solvent; Temperature; Time; Green chemistry;	91%

: 1118-03-2
trimethyltin azide

: 114772-55-3
2-n-Butyl-4-chloro-1-[(2'-cyanobiphenyl-4-yl)-methyl]-5-(hydroxymethyl)imidazole

: 1-{[2'-(N-trimethylstannyl-tetrazol-5-yl)-biphenyl-4-yl]methyl}-2-butyl-4-chloro-5-hydroxymethyl imidazole

Conditions

Conditions	Yield
	99%

: 114772-55-3
2-n-Butyl-4-chloro-1-[(2'-cyanobiphenyl-4-yl)-methyl]-5-(hydroxymethyl)imidazole

: 107-30-2
chloromethyl methyl ether

: 4'-((2-butyl-4-chloro-5-((methoxymethoxy)methyl)-1H-imidazol-1-yl)methyl)-[1,1'-biphenyl]-2-carbonitrile

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃; for 3.5h;	72.2%

: 114772-55-3
2-n-Butyl-4-chloro-1-[(2'-cyanobiphenyl-4-yl)-methyl]-5-(hydroxymethyl)imidazole

: 126938-12-3
EXP 8821

Conditions

Conditions	Yield
With sodium hydroxide In ethanol for 100h; Heating;	68%

: 76-83-5
trityl chloride

: 114772-55-3
2-n-Butyl-4-chloro-1-[(2'-cyanobiphenyl-4-yl)-methyl]-5-(hydroxymethyl)imidazole

: 133909-99-6
2-n-butyl-4-chloro-1-[(2'-(2-triphenylmethyl-2H-tetrazol-5-yl)-1,1'-biphenyl-4-yl)methyl]-1H-imidazole-5-methanol

Conditions

Conditions	Yield
Yield given. Multistep reaction;

: 1118-03-2
azidotrimethyltin

: 114772-55-3
2-n-Butyl-4-chloro-1-[(2'-cyanobiphenyl-4-yl)-methyl]-5-(hydroxymethyl)imidazole

: 1-{[2'-(N-trimethylstannyl-tetrazol-5-yl)-biphenyl-4-yl]methyl}-2-butyl-4-chloro-5-hydroxymethyl imidazole

Conditions

Conditions	Yield
In toluene
In toluene

: 114772-55-3
2-n-Butyl-4-chloro-1-[(2'-cyanobiphenyl-4-yl)-methyl]-5-(hydroxymethyl)imidazole

: 114798-26-4
2-n-butyl-4-chloro-5-hydroxymethyl-1-[(2'-(1H-tetrazol-5-yl)biphenyl-4-yl)methyl]imidazole

Conditions

Conditions	Yield
Stage #1: 2-n-Butyl-4-chloro-1-[(2'-cyanobiphenyl-4-yl)-methyl]-5-(hydroxymethyl)imidazole With azido tributyltin (IV) In toluene for 96h; Heating / reflux; Stage #2: With potassium hydroxide In water; toluene Stage #3: In water pH=3; Acidic aqueous solution;
Multi-step reaction with 2 steps 1: sodium azide / toluene; 1-methyl-pyrrolidin-2-one / 35 h / 98 - 102 °C / Large scale 2: hydrogenchloride / dichloromethane; water / 4 h / 2 - 5 °C / pH 4 - 4.3 / Large scale View Scheme

: 114772-55-3
2-n-Butyl-4-chloro-1-[(2'-cyanobiphenyl-4-yl)-methyl]-5-(hydroxymethyl)imidazole

: 124750-99-8
cozaar

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: C6H16N6O3Zn / butan-1-ol / 100 - 120 °C / Reflux 1.2: 2 h 1.3: pH 3 - 4 2.1: potassium hydroxide / isopropyl alcohol 2.2: 3 h / 20 - 50 °C View Scheme
Multi-step reaction with 3 steps 1: sodium azide / toluene; 1-methyl-pyrrolidin-2-one / 35 h / 98 - 102 °C / Large scale 2: hydrogenchloride / dichloromethane; water / 4 h / 2 - 5 °C / pH 4 - 4.3 / Large scale 3: potassium hydroxide / methanol / 0.5 h / 40 - 45 °C / Large scale View Scheme

: 554-68-7
triethylamine hydrochloride

: 114772-55-3
2-n-Butyl-4-chloro-1-[(2'-cyanobiphenyl-4-yl)-methyl]-5-(hydroxymethyl)imidazole

: C22H23ClN6O*C6H15N

Conditions

Conditions	Yield
With sodium azide In 1-methyl-pyrrolidin-2-one; toluene at 98 - 102℃; for 35h; Large scale;

: 114772-55-3
2-n-Butyl-4-chloro-1-[(2'-cyanobiphenyl-4-yl)-methyl]-5-(hydroxymethyl)imidazole

: C22H22Cl2N6

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: sodium azide / toluene; 1-methyl-pyrrolidin-2-one / 35 h / 98 - 102 °C / Large scale 2: hydrogenchloride / dichloromethane; water / 4 h / 2 - 5 °C / pH 4 - 4.3 / Large scale 3: sulfuryl dichloride / dichloromethane / 1 h / -10 °C View Scheme

: 114772-55-3
2-n-Butyl-4-chloro-1-[(2'-cyanobiphenyl-4-yl)-methyl]-5-(hydroxymethyl)imidazole

: C21H20ClN9

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: sodium azide / toluene; 1-methyl-pyrrolidin-2-one / 35 h / 98 - 102 °C / Large scale 2: hydrogenchloride / dichloromethane; water / 4 h / 2 - 5 °C / pH 4 - 4.3 / Large scale 3: sulfuryl dichloride / dichloromethane / 1 h / -10 °C 4: sodium azide / N,N-dimethyl-formamide / 1 h / 25 - 30 °C View Scheme

: 114772-55-3
2-n-Butyl-4-chloro-1-[(2'-cyanobiphenyl-4-yl)-methyl]-5-(hydroxymethyl)imidazole

: 4'-((2-butyl-4-chloro-5-((methoxymethoxy)methyl)-1H-imidazol-1-yl)methyl)-N'-hydroxy-[1,1'-biphenyl]-2-carboximidamide

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: N-ethyl-N,N-diisopropylamine / dichloromethane / 3.5 h / 20 °C 2: potassium carbonate; hydroxylamine hydrochloride / ethanol / 24 h / 90 °C View Scheme

4'-[(2-Butyl-4-chloro-5-hydroxymethyl-1H-imidazol-1-yl)methyl]-1,1'-biphenyl-2-carbonitrile Specification

The 4'-[(2-Butyl-4-chloro-5-hydroxymethyl-1H-imidazol-1-yl)methyl]-1,1'-biphenyl-2-carbonitrile with its cas register number is 114772-55-3. It also can be called as 4'-[[2-Butyl-4-chloro-5-(hydroxymethyl)-1H-imidazol-1-yl]methyl]-[1,1'-biphenyl]-2-carbonitrile and the Systematic name about this chemical is 4'-{[2-butyl-4-chloro-5-(hydroxymethyl)-1H-imidazol-1-yl]methyl}biphenyl-2-carbonitrile. It belongs to the Losartan Potassium.

Physical properties about 4'-[(2-Butyl-4-chloro-5-hydroxymethyl-1H-imidazol-1-yl)methyl]-1,1'-biphenyl-2-carbonitrile are: (1)ACD/LogP: 4.00; (2)ACD/LogD (pH 5.5): 4; (3)ACD/LogD (pH 7.4): 4; (4)ACD/BCF (pH 5.5): 324; (5)ACD/BCF (pH 7.4): 347; (6)ACD/KOC (pH 5.5): 2136; (7)ACD/KOC (pH 7.4): 2291; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 8; (11)Polar Surface Area: 61.84Å²; (12)Index of Refraction: 1.609; (13)Molar Refractivity: 110.483 cm³; (14)Molar Volume: 319.084 cm³; (15)Polarizability: 43.799x10^-24cm³; (16)Surface Tension: 45.217 dyne/cm; (17)Enthalpy of Vaporization: 94.672 kJ/mol

You can still convert the following datas into molecular structure:
(1)SMILES: CCCCc3nc(Cl)c(CO)n3Cc1ccc(cc1)c2ccccc2C#N
(2)InChI: InChI=1/C22H22ClN3O/c1-2-3-8-21-25-22(23)20(15-27)26(21)14-16-9-11-17(12-10-16)19-7-5-4-6-18(19)13-24/h4-7,9-12,27H,2-3,8,14-15H2,1H3
(3)InChIKey: FGCNIDUBRIVYBP-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C22H22ClN3O/c1-2-3-8-21-25-22(23)20(15-27)26(21)14-16-9-11-17(12-10-16)19-7-5-4-6-18(19)13-24/h4-7,9-12,27H,2-3,8,14-15H2,1H3
(5)Std. InChIKey: FGCNIDUBRIVYBP-UHFFFAOYSA-N

Product Name

4’-[(2-butyl-4-chloro-5-hydroxymethyl)-1H-imidazol-1-yl)methyl]-[1,1’-Biphenyl]-2-carbonitrile

Synthetic route

4'-[(2-Butyl-4-chloro-5-hydroxymethyl-1H-imidazol-1-yl)methyl]-1,1'-biphenyl-2-carbonitrile Specification

Related Products

Hot Products