(4R)-4-(3,4-difluorophenyl)-6-(methoxymethyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylic acid

Base Information

Chemical Name:(4R)-4-(3,4-difluorophenyl)-6-(methoxymethyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylic acid
CAS No.:220497-99-4
Molecular Formula:C13H12F2N2O4
Molecular Weight:298.246
Hs Code.:
DSSTox Substance ID:DTXSID701115146
Nikkaji Number:J1.284.112D

Synonyms:SCHEMBL6686591;FRTKGSAPQVXVJN-LLVKDONJSA-N;DTXSID701115146;(4R) -4-(3,4-difluorophenyl)-6-(methoxymethyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylic Acid;(4R)-4-(3,4-Difluorophenyl)-1,2,3,4-tetrahydro-6-(methoxymethyl)-2-oxo-5-pyrimidinecarboxylic acid;(4R)-4-(3,4-difluorophenyl)-6-(methoxymethyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylic acid;(4R)-4-(3,4-difluorophenyl)-6-methoxymethyl-2-oxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid;220497-99-4;4alpha-(3,4-Difluorophenyl)-6-(methoxymethyl)-2(1H)-oxo-3,4-dihydropyrimidine-5-carboxylic acid

Suppliers and Price of (4R)-4-(3,4-difluorophenyl)-6-(methoxymethyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylic acid

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 0 raw suppliers

Chemical Property of (4R)-4-(3,4-difluorophenyl)-6-(methoxymethyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylic acid

Chemical Property:

XLogP3:0.2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:298.07651319
Heavy Atom Count:21
Complexity:469

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COCC1=C(C(NC(=O)N1)C2=CC(=C(C=C2)F)F)C(=O)O
Isomeric SMILES:COCC1=C([C@H](NC(=O)N1)C2=CC(=C(C=C2)F)F)C(=O)O

Technology Process of (4R)-4-(3,4-difluorophenyl)-6-(methoxymethyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylic acid

There total 5 articles about (4R)-4-(3,4-difluorophenyl)-6-(methoxymethyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylic 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: 90.0%

: 218430-31-0
(R)-methyl 4-(3,4-difluorophenyl)-6-methoxymethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

: 220497-99-4
(S)-4-(3,4-difluorophenyl)-1,2,3,4-tetrahydro-6-(methoxymethyl)-2-oxo-5-pyrimidinecarboxylic acid

Guidance literature:: With lithium hydroxide; In H₂₀-THF; water;

Reference yield: 40.0%

: 192574-28-0
5-methoxycarbonyl-4-methoxymethyl-1,2,3,6-tetrahydro-2-oxo-6-(3,4-difluorophenyl)-pyrimidine

: 218430-63-8
(S)-4-(3,4-difluorophenyl)-1,2,3,4-tetrahydro-6-(methoxymethyl)-2-oxo-5-pyrimidinecarboxylic acid methyl ester

: 220497-99-4
(S)-4-(3,4-difluorophenyl)-1,2,3,4-tetrahydro-6-(methoxymethyl)-2-oxo-5-pyrimidinecarboxylic acid

Guidance literature:: With Purafect 4000L; tris hydrochloride; 2-amino-2-hydroxymethyl-1,3-propanediol; In water; acetonitrile; at 37 ℃; for 240h; pH=8.5; Enzymatic reaction;
DOI:10.1139/v02-079

Reference yield:

: 41051-15-4
4-methoxyacetoacetic acid methylester

: 34036-07-2
3,4 difluorobenzaldehyde

: 57-13-6
urea

: 218430-63-8
(S)-4-(3,4-difluorophenyl)-1,2,3,4-tetrahydro-6-(methoxymethyl)-2-oxo-5-pyrimidinecarboxylic acid methyl ester

: 220497-99-4
(S)-4-(3,4-difluorophenyl)-1,2,3,4-tetrahydro-6-(methoxymethyl)-2-oxo-5-pyrimidinecarboxylic acid

Guidance literature:: 4-methoxyacetoacetic acid methylester; 3,4 difluorobenzaldehyde; urea; With boron trifluoride diethyl etherate; acetic acid; copper(II) oxide; In tetrahydrofuran; Heating;

With subtilistin enzyme; In water; acetonitrile; at 37 ℃; for 240h; Further stages.;
DOI:10.1021/jm990612y