(S)-2-(((2'-(2H-Tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)amino)-3-methylbutanoic acid

Base Information

• Chemical Name: (S)-2-(((2'-(2H-Tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)amino)-3-methylbutanoic acid
• CAS No.: 676129-92-3
• Molecular Formula: C19H21N5O2
• Molecular Weight: 351.408
• UNII: MUB5LGF6FX
• Nikkaji Number: J3.086.434D
• Mol file: 676129-92-3.mol

Synonyms:676129-92-3;Devaleryl Valsartan Impurity;(S)-2-(((2'-(2H-Tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)amino)-3-methylbutanoic acid;Des(oxopentyl) Valsartan;(2S)-3-methyl-2-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]butanoic Acid;Desvaleryl Valsartan;NSXSCTCKWRSTHJ-KRWDZBQOSA-N;Desoxopentyl valsartan;MUB5LGF6FX;SCHEMBL1775269;SCHEMBL8243055;MS-25438;HY-131280;CS-0131990;F19277;A904769;[2'-(1H-tetrazol-5yl)[1,1'-biphenyl-4-yl]methyl]-L-valine;((2'-(1H-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)-L-valine;N-[[2'-(2H-Tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-L-valine;L-Valine, N-[[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-;L-Valine, N-[[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-;(S)-2-(((2'-(2H-Tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)amino)-3-methylbutanoicacid;(S)-3-methyl-2-((2'-(1 H-tetrazol-5-yl)-biphenyl-4-ylmethyl)amino)-butyric acid;(S)-3-methyl-2-((2'-(1H-tetrazol-5-yl)-biphenyl-4-yl-methyl)-amino)-butyric acid;(S)-3-Methyl-2-((2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl)-amino)-butyric acid;(S)-3-methyl-2-((2'-(1H-tetrazol-5-yl)-biphenyl-4ylmethyl)-amino)-butyric acid;(S)-3-Methyl-2-[[2-(1H-tetrazol-5-yl)biphenyl-4-yl]methylamino]butanoic acid;3-Methyl-2-[[[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl]amino]butanoic acid, (2S)-;(2S)-3-Methyl-2-[[[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl]amino]butanoic Acid (Despentanoylvalsartan);L-Valine, N-[[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]- (9CI)

Chemical Property of (S)-2-(((2'-(2H-Tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)amino)-3-methylbutanoic acid

Chemical Property:

• Boiling Point: 598.2±60.0 °C(Predicted)
• PKA: 2.29±0.13(Predicted)
• PSA: 103.79000
• Density: 1.250±0.06 g/cm3(Predicted)
• LogP: 3.12340
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 351.16952493
• Heavy Atom Count: 26
• Complexity: 453

Purity/Quality:

97% ^*data from raw suppliers

Des(oxopentyl)Valsartan ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C(C(=O)O)NCC1=CC=C(C=C1)C2=CC=CC=C2C3=NNN=N3
• Isomeric SMILES: CC(C)[C@@H](C(=O)O)NCC1=CC=C(C=C1)C2=CC=CC=C2C3=NNN=N3

Technology Process of (S)-2-(((2'-(2H-Tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)amino)-3-methylbutanoic acid

There total 11 articles about (S)-2-(((2'-(2H-Tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)amino)-3-methylbutanoic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

3-methyl-2{[1-[2'-(1H-tetrazol-5-yl)-biphenyl-4-yl]-meth-(E/Z)-ylidene]-amino}-butyric acid (676129-91-2) → desvaleroyl valsartan (676129-92-3)

Guidance literature:

With hydrogen; platinum on carbon; In methanol; at 20 ℃; under 3750.38 Torr; Product distribution / selectivity;

Reference yield:

L-valine (72-18-4,25609-85-2,7004-03-7,921-10-8) + 2'-(1H-tetrazol-5-yl)biphenyl-4-carbaldehyde (151052-40-3) → desvaleroyl valsartan (676129-92-3)

Guidance literature:

L-valine; 2'-(1H-tetrazol-5-yl)biphenyl-4-carbaldehyde; With sodium hydroxide; In water; at 20 ℃; pH=11;

With sodium tetrahydroborate; In ethanol; at 0 - 5 ℃; for 0.5h;

With hydrogenchloride; In ethanol; water; Product distribution / selectivity;

Reference yield:

N-pentanoyl-N-[[2'-(1H-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl]-methyl]-(L)-valine (137862-53-4,137862-87-4) → desvaleroyl valsartan (676129-92-3)

Guidance literature:

With sodium methylate; In methanol; at 50 ℃; for 3h; Reagent/catalyst; Temperature; Solvent;

upstream raw materials:

2'-(1H-tetrazol-5-yl)biphenyl-4-carbaldehyde

L-valine

3-methyl-2{[1-[2'-(1H-tetrazol-5-yl)-biphenyl-4-yl]-meth-(E/Z)-ylidene]-amino}-butyric acid

N-((2'-cyano[1,1'-biphenyl]-4-yl)methyl)-L-valine methyl ester hydrochloride

Downstream raw materials:

N-pentanoyl-N-[[2'-(1H-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl]-methyl]-(L)-valine

C₁₉H₂₀N₆O₃