ChemicalBook--->CAS DataBase List--->139481-44-0

139481-44-0

139481-44-0 Structure

139481-44-0 Structure
IdentificationBack Directory
[Name]

Methyl 1-[(2'-cyanobiphenyl-4-yl)methyl]-2-ethoxy-1H-benzimidazole-7-carboxylate
[CAS]

139481-44-0
[Synonyms]

1-[(2'
Azilsartan-19
Methyl 1-[(2'
Azilsartan Impurity S
Azilsartan Impurity 21
Azilsartan Impurity 27
Azilsartan Impurity 31
Azilsartan Impurity 76
Azilsartan interMediate
Azilsartan interMediate B
Azilsartan Nitrile Methyl Ester
Azilsartan MedoxoMil InterMediate
methyl 1-((2'-cyano-[1,1'-biphenyl]
CANDESARTAN INTERMEDIATE(METHYL ESTER C6)
Candesartan ester intermediate (methyl C6)
Candesartan (C6) methyl ester intermediates
Azilsartan & Candesartan Cilexetil intermediates
1-[(2'-cyano[1,1'-biphenyl]-4-yl)methyl]-2-ethoxy-, methyl ester
-cyanobiphenyl-4-yl)methyl]-2-ethoxy-1H-benzimidazole-7-carboxylate
Methyl 1-[(2'-Cyanobiphenyl-4-yl)Methyl]-2-ethoxybenziMidazole-7-carbo
Methyl1-[(2’cynobiphenyl-4-yl)\methyl]-2-ethoxybenzimidazole-7-carboxylate
Methyl1-[(2'-cyanobiphenyl-4-yl)Methyl]-2-ethoxy-benziMidazole-7-carboxylate
Methyl1-[(2'-cyanobiphenyl-4-yl)Methyl]-2-ethoxy-1H-benziMidazole-7-carboxylat
Methyl 1-[(2'-Cyanobiphenyl-4-yl) Methyl]-2-Ethoxy-1H-enzimidazole-7-Carboxylate
MeEthyl-2-ethoxy-1-[[(2'-cyanobiphenyl-4-yl)Methyl]benziMidazole]-7 -carboxylate
Methyl 1-[(2'-cyanobiphenyl-4-yl)methyl]-2-ethoxy-1H-benzimidazole-7-carboxylate
METHYL 1-(2'-CYANOBIPHENYL-4-YL)METHYL-2-ETHOXY BENZIMIDAZOLE-7-CARBOXYLATE(EBC-II)
1-(2-cyanobiphenyl-4-yl-methyl)- 2-ethoxybenzimidazole-7-carboxylic acid ethyl ester
Methyl 1-((2'-cyanobiphenyl-4-yl)Methyl)-2-ethoxy-1H-benzo[d]iMidazole-7-carboxylate
3-[[4-(2-cyanophenyl)phenyl]methyl]-2-ethoxy-4-benzimidazolecarboxylic acid methyl ester
3-[(2'-Cyanobiphenyl-4-yl)Methyl]-2-ethoxy-3H-benziMidazole-4-carboxylic Acid Methyl Ester
Methyl 1-((2'-cyano-[1,1'-biphenyl]-4-yl)Methyl)-2-ethoxy-1H-benzo[d]iMidazole-7-carboxylate
1-[(2'-Cyano-1,1'-biphenyl-4-yl)Methyl]-2-ethoxy-7-benziMidazolecarboxylic Acid Methyl Ester
Methyl1-[(2'cynobiphenyl-4-yl)\methyl]-2-ethoxybenzimidazole-7-carboxylatedine-3-carboxylate
1H-BENZIMIDAZOLE-7-CARBOXYLICACID, 1-[(2'-CYANO[1,1'-BIPHENYL]-4-YL)METHYL]-2-ETHOXY-METHYLESTER
IH-BENZIMIDAZOLE-7-CARBOXXYLIC ACID,1-((2'-CYANO(1,1-BIPHENYL)-4-YL)METHYL)-2-ETHOXY-ETHYL ESTER
1-[(2'-Cyanobiphenyl-4-yl)Methyl]-2-ethoxy-1H-benzo[d]iMidazole-7-carboxylic acid Methyl ester
Methyl 1-[(2'-cyanobiphenyl-4-yl)methyl]-2-ethoxy-1H-benzimidazole-7-carboxylate(C6 methylester)
1-[(2'-Cyano-[1,1'-biphenyl]-4-yl)methyl]-2-ethoxy-1H-benzo[d]imidazole-7-carboxylic Acid Methyl Ester
Azilsartan impurity 20/Methyl 1-((2'-cyano-[1,1'-biphenyl]-4-yl)methyl)-2-ethoxy-1H-benzo[d]imidazole-7-carboxylate
[EINECS(EC#)]

604-137-2
[Molecular Formula]

C25H21N3O3
[MDL Number]

MFCD09031384
[MOL File]

139481-44-0.mol
[Molecular Weight]

411.45
Chemical PropertiesBack Directory
[Melting point ]

168 °C
[storage temp. ]

2-8°C
[solubility ]

Chloroform (Slightly), Methanol (Slightly, Sonicated)
[form ]

Solid
[color ]

Off-White to Light Yellow
[InChI]

InChI=1S/C25H21N3O3/c1-3-31-25-27-22-10-6-9-21(24(29)30-2)23(22)28(25)16-17-11-13-18(14-12-17)20-8-5-4-7-19(20)15-26/h4-14H,3,16H2,1-2H3
[InChIKey]

KSXLHOFDCDKQLH-UHFFFAOYSA-N
[SMILES]

C1(OCC)N(CC2=CC=C(C3=CC=CC=C3C#N)C=C2)C2=C(C(OC)=O)C=CC=C2N=1
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H319-H302-H315-H312-H332
[Precautionary statements ]

P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P280-P302+P352-P312-P322-P363-P501-P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312
[REACH Registrations]

Active
Hazard InformationBack Directory
[Description]

Methyl 1-[(2'-cyanobiphenyl-4-yl)methyl]-2-ethoxy-1H-benzimidazole-7-carboxylate is a key synthetic intermediate in the synthesis of azilsartan, an angiotensin II.1 (AT1) receptor antagonist used in the treatment of hypertension.
[Chemical Properties]

Pale Yellow Solid
[Uses]

Intermediate in the synthesis of angiotensin II receptor antagonist.
[Synthesis]

Tetraethyl orthocarbonate

78-09-1

Azilsartan pharMaceutical interMediate

136304-78-4

Methyl 1-[(2'-cyanobiphenyl-4-yl)methyl]-2-ethoxy-1H-benzimidazole-7-carboxylate

139481-44-0

Using methyl 3-amino-2-(((2'-cyano-[1,1'-biphenyl]-4-yl)methyl)amino)benzoate (MBA) and tetraethyl orthocarbonate (TEC, 397 kg) as the raw material, the mixture was heated at reflux in the presence of acetic acid (62 kg) at 78 to 82 °C for 1 to 2 hours. After completion of the reaction, the reaction solution was cooled and methanol (1680 L), 24% aqueous sodium hydroxide (65 L) and water (2030 L) were added sequentially. The mixture was stirred at 60 to 30 °C for 2 h and the pH was adjusted with aqueous sodium hydroxide solution to 5 to 7. After cooling to below 5 °C, the precipitated crystals were separated and washed with cold water (2500 L) and cold ethyl acetate (500 L) to obtain the first batch of crystals. The mother liquor and washings were concentrated under reduced pressure, cooled to below 5 °C, and the precipitated crystals were separated and washed with cold ethyl acetate (20 L) to obtain the second batch of crystals. The first and second batches of crystals were combined, dissolved in ethyl acetate (4890 L) and heated to reflux. The crystal seeds were added at about 70 °C and then cooled to 5 °C. The crystals were separated, washed with cold ethyl acetate (200 L) and dried to give methyl 1-[(2'-cyanobiphenyl-4-yl)methyl]-2-ethoxy-1H-benzimidazole-7-carboxylate (BEC, 361 kg, 84.8% yield). The product melting point was 168.5-169.5 °C. 1H-NMR (200 MHz, CDCl3) δ: 1.42 (3H, t), 3.71 (3H, s), 4.63 (2H, q), 5.59 (2H, s), 7.09 (2H, d), 7.20 (1H, t), 7.45-7.59 (5H, m), 7.69- 7.80 (2H, m), 7.92 (1H, dd).IR (KBr) cm-1: 2225, 1725, 1550, 1480, 1430, 1280, 1250, 1040, 760, 750.

[References]

[1] Journal of Medicinal Chemistry, 1993, vol. 36, # 15, p. 2182 - 2195
[2] Patent: EP1420016, 2004, A1. Location in patent: Page 18-19
[3] Patent: WO2009/157001, 2009, A2. Location in patent: Page/Page column 3
Spectrum DetailBack Directory
[Spectrum Detail]

Methyl 1-[(2'-cyanobiphenyl-4-yl)methyl]-2-ethoxy-1H-benzimidazole-7-carboxylate(139481-44-0)1HNMR
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