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molecular formula C31H33ClN6O B8540554 1H-Imidazole-5-methanol, 2-butyl-4-chloro-1-[[2'-[2-(1-methyl-1-phenylethyl)-2H-tetrazol-5-yl][1,1'-biphenyl]-4-yl]methyl]-

1H-Imidazole-5-methanol, 2-butyl-4-chloro-1-[[2'-[2-(1-methyl-1-phenylethyl)-2H-tetrazol-5-yl][1,1'-biphenyl]-4-yl]methyl]-

Cat. No. B8540554
M. Wt: 541.1 g/mol
InChI Key: OMOPLAPBVQZYJL-UHFFFAOYSA-N
Attention: For research use only. Not for human or veterinary use.
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Patent
US07345072B2

Procedure details

10 g (0.02 moles) of (2-butyl-5-chloro-3-{2′-[2-(1-methyl-1-phenyl-ethyl)-2H-tetrazol-5-yl]-biphenyl-4-ylmethyl}-3H-imidazol-4-yl)-methanol are dissolved in 50 ml of dichloromethane and gaseous HCl is bubbled at a temperature of 0-10° C. After 2 h the reaction mixture is poured into a solution of 55 g of sodium acetate in water, the formed precipitate is filtered, thoroughly washed with water and dried under vacuum at 70° C., thereby obtaining 7.8 g of losartan.
Quantity
50 mL
Type
solvent
Reaction Step One

Identifiers

REACTION_CXSMILES
[CH2:1]([C:5]1[N:9]([CH2:10][C:11]2[CH:16]=[CH:15][C:14]([C:17]3[CH:22]=[CH:21][CH:20]=[CH:19][C:18]=3[C:23]3[N:24]=[N:25][N:26](C(C)(C4C=CC=CC=4)C)[N:27]=3)=[CH:13][CH:12]=2)[C:8]([CH2:37][OH:38])=[C:7]([Cl:39])[N:6]=1)[CH2:2][CH2:3][CH3:4]>ClCCl>[CH3:4][CH2:3][CH2:2][CH2:1][C:5]1[N:9]([CH2:10][C:11]2[CH:16]=[CH:15][C:14]([C:17]3[CH:22]=[CH:21][CH:20]=[CH:19][C:18]=3[C:23]3[N:27]=[N:26][NH:25][N:24]=3)=[CH:13][CH:12]=2)[C:8]([CH2:37][OH:38])=[C:7]([Cl:39])[N:6]=1

Inputs

Step One
Name
Quantity
10 g
Type
reactant
Smiles
C(CCC)C1=NC(=C(N1CC1=CC=C(C=C1)C1=C(C=CC=C1)C=1N=NN(N1)C(C)(C1=CC=CC=C1)C)CO)Cl
Name
Quantity
50 mL
Type
solvent
Smiles
ClCCl

Conditions

Other
Conditions are dynamic
1
Details
See reaction.notes.procedure_details.

Workups

CUSTOM
Type
CUSTOM
Details
gaseous HCl is bubbled at a temperature of 0-10° C
ADDITION
Type
ADDITION
Details
After 2 h the reaction mixture is poured into a solution of 55 g of sodium acetate in water
Duration
2 h
FILTRATION
Type
FILTRATION
Details
the formed precipitate is filtered
WASH
Type
WASH
Details
thoroughly washed with water
CUSTOM
Type
CUSTOM
Details
dried under vacuum at 70° C.

Outcomes

Product
Name
Type
product
Smiles
CCCCC1=NC(=C(N1CC=2C=CC(=CC2)C=3C=CC=CC3C4=NNN=N4)CO)Cl
Measurements
Type Value Analysis
AMOUNT: MASS 7.8 g
YIELD: CALCULATEDPERCENTYIELD 92.2%

Source

Source
Open Reaction Database (ORD)
Description
The Open Reaction Database (ORD) is an open-access schema and infrastructure for structuring and sharing organic reaction data, including a centralized data repository. The ORD schema supports conventional and emerging technologies, from benchtop reactions to automated high-throughput experiments and flow chemistry. Our vision is that a consistent data representation and infrastructure to support data sharing will enable downstream applications that will greatly improve the state of the art with respect to computer-aided synthesis planning, reaction prediction, and other predictive chemistry tasks.
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