2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-phenylphenyl)propanoic Acid

Base Information

• Chemical Name: 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-phenylphenyl)propanoic Acid
• CAS No.: 119273-61-9
• Molecular Formula: C20H23NO4
• Molecular Weight: 341.407
• DSSTox Substance ID: DTXSID50405006
• Mol file: 119273-61-9.mol

Synonyms:119273-61-9;2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-phenylphenyl)propanoic Acid;2-(Boc-amino)-3-(biphenyl-4-yl)propanoic acid;3-([1,1'-Biphenyl]-4-yl)-2-((tert-butoxycarbonyl)amino)propanoic acid;[1,1'-Biphenyl]-4-propanoic acid, alpha-[[(1,1-dimethylethoxy)carbonyl]amino]-;Boc-beta-(4-biphenylyl)-Ala-OH;Boc-Bip-OH;MFCD00191184;NBVVKAUSAGHTSU-UHFFFAOYSA-N;N-(tert-Butoxycarbonyl)-4-phenyl-L-phenylalanine;SCHEMBL1325181;DTXSID50405006;BCP14960;AKOS030228367;AB04545;AB04548;LS-14784;SY007823;CS-0416123;FT-0643096;FT-0643415;A50366;A808706;3-(1 ,1'-Biphenyl-4-yl)-2-tert-butoxycarbonylaminopropionic acid;3-(1,1'-Biphenyl-4-yl)-2-tert-butoxycarbonylaminopropionic acid;a-[[(1,1-Dimethylethoxy)carbonyl]amino][1,1'-biphenyl]-4-propanoic acid;(R)-.alpha.-[[(1,1-dimethylethoxy)carbonyl]amino]-[1,1'-Biphenyl]-4-propanoic acid;2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-(4-phenylphenyl)propanoic acid

Chemical Property of 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-phenylphenyl)propanoic Acid

Chemical Property:

• PSA: 79.12000
• LogP: 4.07840
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 341.16270821
• Heavy Atom Count: 25
• Complexity: 443

Purity/Quality:

98.5% ^*data from raw suppliers

3-BIPHENYL-4-YL-2-TERT-BUTOXYCARBONYLAMINOPROPIONIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)C2=CC=CC=C2)C(=O)O

Technology Process of 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-phenylphenyl)propanoic Acid

There total 19 articles about 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-phenylphenyl)propanoic 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: 98.0%

4-bromo-N-{[(1,1-dimethylethyl)oxy]carbonyl}-L-phenylalanine (62129-39-9,79561-82-3) + phenylboronic acid (98-80-6) → N-tert-butoxycarbonyl-p-phenyl-L-phenylalanine (119273-61-9,128779-47-5,147923-08-8)

Guidance literature:

With dipotassium hydrogenphosphate; formic acid; Pd(OAc)2(2-amino-4,6-dihydroxypyrimidine disodium salt)2; In water; at 37 ℃; for 4h;

DOI:10.1021/ja907150m

Reference yield: 95.0%

N-Boc-4-I-Phe-OH (103882-09-3,62129-44-6) + phenylboronic acid (98-80-6) → N-tert-butoxycarbonyl-p-phenyl-L-phenylalanine (119273-61-9,128779-47-5,147923-08-8)

Guidance literature:

With dipotassium hydrogenphosphate; formic acid; Pd(OAc)2(2-amino-4,6-dihydroxypyrimidine disodium salt)2; In water; at 37 ℃; for 4h;

DOI:10.1021/ja907150m

Reference yield: 92.0%

di-tert-butyl dicarbonate (24424-99-5) + (S)-3-([1,1'-biphenyl]-4-yl)-2-aminopropanoic acid (155760-02-4,170080-13-4) → N-tert-butoxycarbonyl-p-phenyl-L-phenylalanine (119273-61-9,128779-47-5,147923-08-8)

Guidance literature:

With sodium hydroxide; In tetrahydrofuran; water; at 20 ℃; for 6h;

DOI:10.1016/j.tetlet.2018.10.041

upstream raw materials:

methyl (S)-3-([1,1'-biphenyl]-4-yl)-2-((tert-butoxycarbonyl)amino)propanoate

N-Boc-4-I-Phe-OH

phenylboronic acid

4-bromo-N-{[(1,1-dimethylethyl)oxy]carbonyl}-L-phenylalanine

Downstream raw materials:

{(S)-1-[(S)-1-((S)-1-Benzyl-3-chloro-2-oxo-propylcarbamoyl)-2-carbamoyl-ethylcarbamoyl]-2-biphenyl-4-yl-ethyl}-carbamic acid tert-butyl ester

(S)--β-alanine benzyl ester

[(S)-2-Biphenyl-4-yl-1-(3-morpholin-4-yl-propylcarbamoyl)-ethyl]-carbamic acid tert-butyl ester

{(S)-2-Biphenyl-4-yl-1-[2-(4-hydroxy-phenyl)-ethylcarbamoyl]-ethyl}-carbamic acid tert-butyl ester