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137863-20-8

137863-20-8 Structure

137863-20-8 Structure
IdentificationBack Directory
[Name]

N-[2’-(1H-tetrazol-5-yl)biphenyl-4-yl methyl]-N-Valeryl-(L)-Valine benzyl ester
[CAS]

137863-20-8
[Synonyms]

CGP 49841
Valsartan-1
-3-methylbutanoate
Valsartan USP RC C
Valsartan Impurity C
Valsartan Impurity B
Valsartan Benzyl Ester
Valsartan EP Impurity B
Valsartan Related CoMpound C
Valsartan USP Related CoMpound C
-Benzyl 2-(N-((2'-(1H-tetrazol-5-yl)
(S)-benzyl 2-(N-((2'-(1H-tetrazol-5-yl)
Valsartan Impurity 2(Valsartan USP RC C)
Valsartan Impurity 2(Valsartan Related Compound C)
Valsartan EP Impurity B (Valsartan USP Related Compound C)
(S)-N-Valeryl-N-([2'-(1H-tetrazole-5-yl)biphen-4-yl]methyl)valine benzyl ester
Benzyl N-Pentanoyl-N-[[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-D-valine
N-[2’-(1H-tetrazol-5-yl)biphenyl-4-yl methyl]-N-Valeryl-(L)-Valine benzyl ester
(S)-N-Valeryl-N-([2'-(1-H-tetrazole-5-yl)biphenyl-4-yl]-Methyl)valine benzyl ester
BenzylN-((2'-(2H-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)-N-pentanoyl-L-valinate
benzyl N-((2'-(1H-tetrazol-5-yl)-[1,1'- biphenyl]-4-yl)methyl)-N-pentanoyl- L-valinate
(S)-benzyl 2-(N-((2'-(1H-tetrazol-5-yl)biphenyl-4-yl)methyl)pentanamido)-3-methylbutanoate
(S)-Benzyl 2-(N-((2'-(1H-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)pentanamido)-3-methylbutan
N-(1-Oxopentyl)-N-[[2′-(2H-tetrazol-5-yl)[1,1′-biphenyl]-4-yl]methyl]-L-valine phenylmethyl ester
(S)-Benzyl 2-(N-((2'-(1H-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)pentanamido)-3-methylbutanoat
(S)-benzyl2-(N-((2'-(1H-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)pentanamido)-3-methylbutanoate
L-Valine, N-(1-oxopentyl)-N-[[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]- 4-yl]methyl]-, phenylmethyl ester
Valsartan Benzyl Ester: (S)-N-Valeryl-N-([2'-(1-H-tetrazole)-5-yl)-biphenyl-4-yl]-Methyl)-valine benzyl ester
(S)-N-(1-benzyloxycarbonyl-2-methyl-prop-1-yl)-N-pentanoyl-N-[2'-(1H-tetrazol-5-yl)bi-phenyl-4-ylmethyl]-amine
Valsartan Related Compound C (10 mg) (N-valeryl-N-{[2'-(1H-tetrazole-5-yl)biphenyl-4-yl]methyl}-L-valine benzyl ester)
Valsartan Related Compound C (10 mg) ((S)-N-Valeryl-N-([2'-(1-H-tetrazole-5-yl)biphenyl-4-yl]-methyl)valine benzyl ester)
Valsartan impurity 1/Valsartan EP Impurity B/(S)-Benzyl 2-(N-((2'-(1H-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)pentanamido)-3-methylbutanoate
[EINECS(EC#)]

604-047-3
[Molecular Formula]

C31H35N5O3
[MDL Number]

MFCD12407184
[MOL File]

137863-20-8.mol
[Molecular Weight]

525.649
Questions And AnswerBack Directory
[Synthesis]

Benzyl N-valeryl-N-[{2-[1-(triphenylmethyl)-1H-tetrazole-5-yl]]-1,1-biphenyl-4-yl}methyl]-L-valine (330 mg) was dissolved in 6 mL of methanol. The resulting reaction mixture was refluxed under heating for 2 h, and then transferred to room temperature and reacted overnight. After the reaction was completed, the reaction solution was evaporated to dryness under reduced pressure. The residue was then purified by silica gel column chromatography (eluent: cyclohexane/ethyl acetate from 7:3 to 3:7) to obtain valsartan benzyl ester (207 mg, yield 92%).

Synthetic Route of N-[2’-(1H-tetrazol-5-yl)biphenyl-4-yl  methyl]-N-Valeryl-(L)-Valine  benzyl  ester

Figure: Synthetic Route of N-[2’-(1H-tetrazol-5-yl)biphenyl-4-yl methyl]-N-Valeryl-(L)-Valine benzyl ester

Chemical PropertiesBack Directory
[Melting point ]

>71°C (dec.)
[Boiling point ]

720.1±70.0 °C(Predicted)
[density ]

1.180±0.06 g/cm3(Predicted)
[vapor pressure ]

0-0Pa at 20-25℃
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

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

neat
[pka]

4.15±0.10(Predicted)
[color ]

White to Off-White
[Major Application]

pharmaceutical small molecule
[InChIKey]

VXKKFWDUSKMRNO-LJAQVGFWSA-N
[SMILES]

CCCCC(=O)N(Cc1ccc(cc1)-c2ccccc2-c3nnn[nH]3)[C@@H](C(C)C)C(=O)OCc4ccccc4
[LogP]

2.43 at 25℃ and pH7.35
[Surface tension]

59.6-68.1mN/m at 10-100mg/L and 20℃
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302
[Precautionary statements ]

P264-P270-P301+P312-P330-P501
[Hazard Codes ]

Xn
[Risk Statements ]

22
[WGK Germany ]

WGK 3
[REACH Registrations]

Active
[HS Code ]

2933997500
[Storage Class]

13 - Non Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Aquatic Chronic 1
Hazard InformationBack Directory
[Uses]

Valsartan (V095750) intermediate.
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