5-Benzyloxycarbonylamino-6-oxo-2-phenyl-1,6-dihydropyrimidin-1-ylacetic acid

Base Information Edit

Chemical Name:5-Benzyloxycarbonylamino-6-oxo-2-phenyl-1,6-dihydropyrimidin-1-ylacetic acid
CAS No.:148747-59-5
Molecular Formula:C₂₀H₁₇N₃O₅
Molecular Weight:379.372
Hs Code.:
DSSTox Substance ID:DTXSID50437342
Nikkaji Number:J1.647.592K
Wikidata:Q82252828
Mol file:148747-59-5.mol

Synonyms:148747-59-5;5-benzyloxycarbonylamino-6-oxo-2-phenyl-1,6-dihydropyrimidin-1-ylacetic acid;1(6H)-Pyrimidineacetic acid, 6-oxo-2-phenyl-5-[[(phenylmethoxy)carbonyl]amino]-;SCHEMBL6085435;DTXSID50437342;MYWBQLSEKOCWGR-UHFFFAOYSA-N;2-[6-oxo-2-phenyl-5-(phenylmethoxycarbonylamino)pyrimidin-1-yl]acetic acid;FT-0734602;(5-benzyloxycarbonylamino-6-oxo-2-phenyl-1,6-dihydro-1-pyrimidinyl)acetic acid;[5-[(benzyloxycarbonyl)amino]-2-phenyl-6-oxo-1,6-dihydro 1-pyrimidinyl]acetic acid;[5-[(benzyloxycarbonyl)amino]-2-phenyl-6-oxo-1,6-dihydro-1-pyrimidinyl]acetic acid;[5[(benzyloxycarbonyl)amino]-2-phenyl-6-oxo-1,6-dihydro-1-pyrimidinyl]acetic acid;2-(5-benzyloxycarbonylamino-6-oxo-2-phenyl-1,6-dihydropyrimidin-1-yl)acetic acid;2-Phenyl-5-(benzyloxycarbonylamino)-6-oxo-1,6-dihydropyrimidine-1-acetic acid

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Chemical Property of 5-Benzyloxycarbonylamino-6-oxo-2-phenyl-1,6-dihydropyrimidin-1-ylacetic acid Edit

Chemical Property:

XLogP3:2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:379.11682065
Heavy Atom Count:28
Complexity:661

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)COC(=O)NC2=CN=C(N(C2=O)CC(=O)O)C3=CC=CC=C3

Technology Process of 5-Benzyloxycarbonylamino-6-oxo-2-phenyl-1,6-dihydropyrimidin-1-ylacetic acid

There total 16 articles about 5-Benzyloxycarbonylamino-6-oxo-2-phenyl-1,6-dihydropyrimidin-1-ylacetic 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: 88.0%

: 148747-58-4
[5-[(benzyloxycarbonyl)amino]-2-phenyl-6-oxo-1,6-dihydro-1-pyrimidinyl]acetaldehyde

: 148747-59-5
5-benzyloxycarbonylamino-6-oxo-2-phenyl-1,6-dihydropyrimidin-1-ylmethylcarboxylic acid

Guidance literature:: [5-[(benzyloxycarbonyl)amino]-2-phenyl-6-oxo-1,6-dihydro-1-pyrimidinyl]acetaldehyde; With sodium chlorite; sodium dihydrogenphosphate; In tetrahydrofuran; 2-methyl-but-2-ene; water; tert-butyl alcohol; at 0 - 20 ℃; for 1.16667h;

With hydrogenchloride; sodium hydrogencarbonate; In tetrahydrofuran; 2-methyl-but-2-ene; water; tert-butyl alcohol; pH=3;

Reference yield: 77.0%

: 2-(5-amino-6-oxo-2-phenyl-1,6-dihydropyrimidin-1-yl)acetic acid sodium salt

: 501-53-1,94274-21-2
benzyl chloroformate

: 148747-59-5
5-benzyloxycarbonylamino-6-oxo-2-phenyl-1,6-dihydropyrimidin-1-ylmethylcarboxylic acid

Guidance literature:: In water; for 3h; pH=6 - 8;
DOI:10.3987/COM-12-12432

Reference yield:

: 634148-47-3
5-(benzoylamino)-6-oxo-2-phenyl-1(6H)-pyrimidineacetic acid tert-butyl ester

: 501-53-1,94274-21-2
benzyl chloroformate

: 148747-59-5
5-benzyloxycarbonylamino-6-oxo-2-phenyl-1,6-dihydropyrimidin-1-ylmethylcarboxylic acid

Guidance literature:: 5-(benzoylamino)-6-oxo-2-phenyl-1(6H)-pyrimidineacetic acid tert-butyl ester; With sodium methylate; In methanol; at 70 ℃;

With sodium hydroxide; In methanol; water; at 20 ℃; for 4h;

benzyl chloroformate; With hydrogenchloride; sodium hydroxide; more than 3 stages; Product distribution / selectivity;