L-Phenylalanine, N-(2,6-difluorobenzoyl)-4-(1,2,3,4-tetrahydro-1,3,6-trimethyl-2,4-dioxo-5-pyrimidinyl)-, ethyl ester

Base Information

Chemical Name:L-Phenylalanine, N-(2,6-difluorobenzoyl)-4-(1,2,3,4-tetrahydro-1,3,6-trimethyl-2,4-dioxo-5-pyrimidinyl)-, ethyl ester
CAS No.:343851-28-5
Molecular Formula:C₂₅H₂₅F₂N₃O₅
Molecular Weight:485.487
Hs Code.:
UNII:RQ2NAE9Z24
Wikidata:Q76415401
ChEMBL ID:CHEMBL2332755

Synonyms:RQ2NAE9Z24;UNII-RQ2NAE9Z24;RO0506997;RO-0506997;343851-28-5;L-Phenylalanine, N-(2,6-difluorobenzoyl)-4-(1,2,3,4-tetrahydro-1,3,6-trimethyl-2,4-dioxo-5-pyrimidinyl)-, ethyl ester;SCHEMBL5162137;CHEMBL2332755;WUWFMJLSHFBJBN-IBGZPJMESA-N;N-[(2,6-difluorophenyl)carbonyl]-4-(1,3,6-trimethyl-2,4-dioxo-5-pyrimidinyl)-L-phenylalanine ethyl ester

Suppliers and Price of L-Phenylalanine, N-(2,6-difluorobenzoyl)-4-(1,2,3,4-tetrahydro-1,3,6-trimethyl-2,4-dioxo-5-pyrimidinyl)-, ethyl ester

Supply Marketing:

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

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Chemical Property of L-Phenylalanine, N-(2,6-difluorobenzoyl)-4-(1,2,3,4-tetrahydro-1,3,6-trimethyl-2,4-dioxo-5-pyrimidinyl)-, ethyl ester

Chemical Property:

XLogP3:3.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:8
Exact Mass:485.17622723
Heavy Atom Count:35
Complexity:861

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCOC(=O)C(CC1=CC=C(C=C1)C2=C(N(C(=O)N(C2=O)C)C)C)NC(=O)C3=C(C=CC=C3F)F
Isomeric SMILES:CCOC(=O)[C@H](CC1=CC=C(C=C1)C2=C(N(C(=O)N(C2=O)C)C)C)NC(=O)C3=C(C=CC=C3F)F
Recent EU Clinical Trials:Phase IIa, multicenter, randomised, double-blind, placebo controlled study of the efficacy and safety of RO0506997, an α4 integrin antagonist, in combination with methotrexate, versus methotrexate alone, in patients with mild/moderate active rheumatoid arthritis (RA) who have had a partial response to a stable dose of methotrexate.

Technology Process of L-Phenylalanine, N-(2,6-difluorobenzoyl)-4-(1,2,3,4-tetrahydro-1,3,6-trimethyl-2,4-dioxo-5-pyrimidinyl)-, ethyl ester

There total 1 articles about L-Phenylalanine, N-(2,6-difluorobenzoyl)-4-(1,2,3,4-tetrahydro-1,3,6-trimethyl-2,4-dioxo-5-pyrimidinyl)-, ethyl ester 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:

: 343850-71-5
N-[(2,6-difluorophenyl)carbonyl]-4-(1,3,6-trimethyl-2,4-dioxo-5-pyrimidinyl)-L-phenylalanine

: 343851-28-5
N-[(2,6-difluorophenyl)carbonyl]-4-(1,3,6-trimethyl-2,4-dioxo-5-pyrimidinyl)-L-phenylalanine ethyl ester

Guidance literature:: With sodium hydrogencarbonate; In N,N-dimethyl-formamide; at 20 ℃; for 15h;
DOI:10.1016/j.bmcl.2012.12.026

Reference yield:

: 343851-28-5
N-[(2,6-difluorophenyl)carbonyl]-4-(1,3,6-trimethyl-2,4-dioxo-5-pyrimidinyl)-L-phenylalanine ethyl ester

: 343850-71-5
N-[(2,6-difluorophenyl)carbonyl]-4-(1,3,6-trimethyl-2,4-dioxo-5-pyrimidinyl)-L-phenylalanine

Guidance literature:: With sodium hydroxide; In ethanol; at 20 ℃;
DOI:10.1016/j.bmcl.2012.12.026

Reference yield:

: 343851-28-5
N-[(2,6-difluorophenyl)carbonyl]-4-(1,3,6-trimethyl-2,4-dioxo-5-pyrimidinyl)-L-phenylalanine ethyl ester

: 343851-30-9
N-[(2,6-difluorophenyl)carbonyl]-4-(1,3,6-trimethyl-2,4-dioxo-5-pyrimidinyl)-L-phenylalanine 1-(acetoxy)ethyl ester

Guidance literature:: Multi-step reaction with 2 steps

1: sodium hydroxide / ethanol / 20 °C

2: sodium hydrogencarbonate / N,N-dimethyl-formamide / 15 h / 20 °C

With sodium hydrogencarbonate; sodium hydroxide; In ethanol; N,N-dimethyl-formamide;
DOI:10.1016/j.bmcl.2012.12.026