N-[(Phenylmethoxy)carbonyl]-L-phenylalanyl-L-alanyl-L-alanine

Base Information

Chemical Name:N-[(Phenylmethoxy)carbonyl]-L-phenylalanyl-L-alanyl-L-alanine
CAS No.:19245-90-0
Molecular Formula:C23H27N3O6
Molecular Weight:441.484
Hs Code.:
DSSTox Substance ID:DTXSID201180798

Synonyms:DTXSID201180798;N-[(Phenylmethoxy)carbonyl]-L-phenylalanyl-L-alanyl-L-alanine;19245-90-0

Suppliers and Price of N-[(Phenylmethoxy)carbonyl]-L-phenylalanyl-L-alanyl-L-alanine

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

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Chemical Property of N-[(Phenylmethoxy)carbonyl]-L-phenylalanyl-L-alanyl-L-alanine

Chemical Property:

XLogP3:1.6
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:11
Exact Mass:441.18998559
Heavy Atom Count:32
Complexity:644

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(C(=O)NC(C)C(=O)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2
Isomeric SMILES:C[C@@H](C(=O)N[C@@H](C)C(=O)O)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2

Technology Process of N-[(Phenylmethoxy)carbonyl]-L-phenylalanyl-L-alanyl-L-alanine

There total 4 articles about N-[(Phenylmethoxy)carbonyl]-L-phenylalanyl-L-alanyl-L-alanine 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: 92.0%

: 56-41-7,25191-17-7,18875-37-1
L-alanin

: 769922-78-3
benzyl N-((1S)-2-{[(1S)-2-(1H-1,2,3-benzotriazol-1-yl)-1-methyl-2-oxoethyl]amino}-1-benzyl-2-oxoethyl)carbamate

: 19245-90-0
(5S,8S,11S)-5-benzyl-8,11-dimethyl-3,6,9-trioxo-1-phenyl-2-oxa-4,7,10-triazadodecan-12-oic acid

Guidance literature:: With triethylamine; In water; acetonitrile; at 20 ℃;
DOI:10.1055/s-2004-831255

Reference yield:

: 3338-39-4,16088-00-9,16088-38-3,17563-25-6,55387-02-5,80996-16-3,21881-18-5
N-benzyloxycarbonyl-L-phenylalanyl-L-alanine

: 19245-90-0
(5S,8S,11S)-5-benzyl-8,11-dimethyl-3,6,9-trioxo-1-phenyl-2-oxa-4,7,10-triazadodecan-12-oic acid

Guidance literature:: Multi-step reaction with 2 steps

1.1: SOCl₂ / tetrahydrofuran / 0.33 h / 25 °C

1.2: 85 percent / tetrahydrofuran / 2 h / 0 °C

2.1: 92 percent / Et₃N / acetonitrile; H₂O / 20 °C

With thionyl chloride; triethylamine; In tetrahydrofuran; water; acetonitrile;
DOI:10.1055/s-2004-831255

Reference yield:

: 1161-13-3
N-Cbz-L-Phe

: 19245-90-0
(5S,8S,11S)-5-benzyl-8,11-dimethyl-3,6,9-trioxo-1-phenyl-2-oxa-4,7,10-triazadodecan-12-oic acid

Guidance literature:: Multi-step reaction with 4 steps

1.1: SOCl₂ / tetrahydrofuran / 0.33 h / 25 °C

1.2: 89 percent / tetrahydrofuran / 1 h / 25 °C

2.1: 96 percent / Et₃N / acetonitrile; H₂O / 20 °C

3.1: SOCl₂ / tetrahydrofuran / 0.33 h / 25 °C

3.2: 85 percent / tetrahydrofuran / 2 h / 0 °C

4.1: 92 percent / Et₃N / acetonitrile; H₂O / 20 °C

With thionyl chloride; triethylamine; In tetrahydrofuran; water; acetonitrile;
DOI:10.1055/s-2004-831255