CAS 153037-40-2 (S)-tert-Butyl (1-([1,1'-biphenyl]-4-yl)-3-hydroxypropan-2-yl)carbamate (HCID 54340554)

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Basic information

CAS: 153037-40-2
Standard SMILES: CC(C)(C)OC(=O)N[C@H](CO)Cc1ccc(-c2ccccc2)cc1
InChIKey: TYQICOFAZDVKMK-SFHVURJKSA-N
Molecular formula: C20H25NO3
Average molar mass: 327.4 g/mol
Monoisotopic mass: 327.18344366

Names & identifiers

Preferred name: (S)-tert-Butyl (1-([1,1'-biphenyl]-4-yl)-3-hydroxypropan-2-yl)carbamate
IUPAC: tert-butyl N-[(2S)-1-hydroxy-3-(4-phenylphenyl)propan-2-yl]carbamate
English name: 1426129-50-1 enantioMer
Molecular formula: C20H25NO3
Molecular weight: 327.42

Names & synonyms

153037-40-2(S)-tert-Butyl (1-([1,1'-biphenyl]-4-yl)-3-hydroxypropan-2-yl)carbamateMFCD28359224Valsartan Impurity 87tert-butyl (S)-(1-([1,1'-biphenyl]-4-yl)-3-hydroxypropan-2-yl)carbamatetert-butyl N-[(2S)-1-hydroxy-3-(4-phenylphenyl)propan-2-yl]carbamateCarbamic acid, [(1S)-2-[1,1'-biphenyl]-4-yl-1-(hydroxymethyl)ethyl]-,1,1-dimethylethyl estertert-Butyl (S)-[1-([1,1'-biphenyl]-4-yl)-3-hydroxypropan-2-yl]carbamateLCZ-696 Impurity 6657VTC4CR8RSCHEMBL1531592TYQICOFAZDVKMK-SFHVURJKSA-N

Show more names

Sacubitril Impurity 881,3-dimethyl-54-nitrosoureaShakubatroxobin valsartan impurity 62S-Tert-Butyl (1-([1,1'-biphenyl]-4-yl)LCZ696 valsartan + sacubitril Impurity 62LCZ696（valsartan + sacubitril） Impurity(Hydrochloride)(2S)-2-(tert-Butoxycarbonylamino)-3-(biphenyl-4-yl)propanolt-Butyl (S)-(1-([1,1'-biphenyl]-4-yl)-3-hydroxypropan-2-yl)carbamatetert-Butyl(S)-(1-([1,1'-biphenyl]-4-yl)-3-hydroxypropan-2-yl)carbamate

Properties

Computed structural properties

XLogP: 3.9
Topological polar surface area: 58.6 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 7
Heavy atoms: 24
Formal charge: 0
Complexity: 377

Physicochemical properties

storage temp.: 2 · 2-8°C
Appearance: White to off-white Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338

Safety & regulation

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P305+P351+P338

Chemistry & industry

Applications

Usestert-Butyl (S)-(1-([1,1'-Biphenyl]-4-yl)-3-hydroxypropan-2-yl)carbamate may be useful in the preparation of tetrazolylalkylaminomethylphosphonates as neutral endopeptidase inhibitors.