3,5-Dibromo-n-[[4-(1,4-dihydro-2-oxo-3(2h)-quinazolinyl)-1-piperidinyl]carbonyl]-d-tyrosine

Base Information

Chemical Name:3,5-Dibromo-n-[[4-(1,4-dihydro-2-oxo-3(2h)-quinazolinyl)-1-piperidinyl]carbonyl]-d-tyrosine
CAS No.:862805-23-0
Molecular Formula:C₂₃H₂₄Br₂N₄O₅
Molecular Weight:596.275
Hs Code.:
DSSTox Substance ID:DTXSID901121496

Synonyms:SCHEMBL6376004;DTXSID901121496;3,5-dibromo-n-[[4-(1,4-dihydro-2-oxo-3(2h)-quinazolinyl)-1-piperidinyl]carbonyl]-d-tyrosine;862805-23-0

Suppliers and Price of 3,5-Dibromo-n-[[4-(1,4-dihydro-2-oxo-3(2h)-quinazolinyl)-1-piperidinyl]carbonyl]-d-tyrosine

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

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Chemical Property of 3,5-Dibromo-n-[[4-(1,4-dihydro-2-oxo-3(2h)-quinazolinyl)-1-piperidinyl]carbonyl]-d-tyrosine

Chemical Property:

XLogP3:3.2
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:596.00930
Heavy Atom Count:34
Complexity:754

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1CN(CCC1N2CC3=CC=CC=C3NC2=O)C(=O)NC(CC4=CC(=C(C(=C4)Br)O)Br)C(=O)O
Isomeric SMILES:C1CN(CCC1N2CC3=CC=CC=C3NC2=O)C(=O)N[C@H](CC4=CC(=C(C(=C4)Br)O)Br)C(=O)O

Technology Process of 3,5-Dibromo-n-[[4-(1,4-dihydro-2-oxo-3(2h)-quinazolinyl)-1-piperidinyl]carbonyl]-d-tyrosine

There total 4 articles about 3,5-Dibromo-n-[[4-(1,4-dihydro-2-oxo-3(2h)-quinazolinyl)-1-piperidinyl]carbonyl]-d-tyrosine 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: 99.0%

: (R)-N-(1-oxo-(3,4-dihydroquinazolin-2(1H)-yl)piperidinyl)-3,5-dibromotyrosine methylester

: 862805-23-0
3,5-dibromo-N-{[4-(2-oxo-1,4-dihydroquinazolin-3(2H)-yl)piperidin-1-yl]carbonyl}-D-tyrosine

Guidance literature:: (R)-N-(1-oxo-(3,4-dihydroquinazolin-2(1H)-yl)piperidinyl)-3,5-dibromotyrosine methylester; With lithium hydroxide; In water; for 3h;

With hydrogenchloride; In DMF (N,N-dimethyl-formamide); water; for 3h;

Reference yield:

: 173383-29-4
3,5-dibromo-D-tyrosine methyl ester

: 862805-23-0
3,5-dibromo-N-{[4-(2-oxo-1,4-dihydroquinazolin-3(2H)-yl)piperidin-1-yl]carbonyl}-D-tyrosine

Guidance literature:: Multi-step reaction with 2 steps

1: 1,2,4-Triazole / N,N-dimethyl-formamide

2: water; lithium hydroxide monohydrate / 1,2-dimethoxyethane / 40 °C

With 1,2,4-Triazole; lithium hydroxide monohydrate; water; In 1,2-dimethoxyethane; N,N-dimethyl-formamide;
DOI:10.1016/j.bmcl.2014.04.033

Reference yield:

: 79098-75-2
3-piperidin-4-yl-3,4-dihydro-1H-quinazoline-2-one

: 862805-23-0
3,5-dibromo-N-{[4-(2-oxo-1,4-dihydroquinazolin-3(2H)-yl)piperidin-1-yl]carbonyl}-D-tyrosine

Guidance literature:: Multi-step reaction with 2 steps

1: 1,2,4-Triazole / N,N-dimethyl-formamide

2: water; lithium hydroxide monohydrate / 1,2-dimethoxyethane / 40 °C

With 1,2,4-Triazole; lithium hydroxide monohydrate; water; In 1,2-dimethoxyethane; N,N-dimethyl-formamide;
DOI:10.1016/j.bmcl.2014.04.033