ChemicalBook > CAS DataBase List > 4-PYRIMIDINECARBOXYLIC ACID, 1,6-DIHYDRO-5-HYDROXY-2-[1-METHYL-1-[[(PHENYLMETHOXY)CARBONYL]AMINO]ETHYL]-6-OXO-, METHYL ESTER

4-PYRIMIDINECARBOXYLIC ACID, 1,6-DIHYDRO-5-HYDROXY-2-[1-METHYL-1-[[(PHENYLMETHOXY)CARBONYL]AMINO]ETHYL]-6-OXO-, METHYL ESTER

Product Name
4-PYRIMIDINECARBOXYLIC ACID, 1,6-DIHYDRO-5-HYDROXY-2-[1-METHYL-1-[[(PHENYLMETHOXY)CARBONYL]AMINO]ETHYL]-6-OXO-, METHYL ESTER
CAS No.
519032-08-7
Chemical Name
4-PYRIMIDINECARBOXYLIC ACID, 1,6-DIHYDRO-5-HYDROXY-2-[1-METHYL-1-[[(PHENYLMETHOXY)CARBONYL]AMINO]ETHYL]-6-OXO-, METHYL ESTER
Synonyms
Methyl 2-[1-[[(benzyloxy)carbonyl]aMino]-1-Methylethyl]-5,6-dihydroxypyriMidine-4-carboxylate;Methyl 2-(2-(benzyloxycarbonylamino)propan-2-yl)-5-hydroxy-6-oxo-1,6-dihydropyrimidine-4-carboxylate;LTGW-3;InterMediate E of Raltegravir;Methyl-2-(2-{[(benzyloxy)carbo;6-dihydropyrimidine-4-carboxylate;Methyl 2-(2-(benzyloxycarbonylamino;methyl 2-[1-[[(benzyloxy)carbonyl]amino]-1-methylethyl]-5,6-...;2-Piperidinecarboxylicacid,methylester,(2R)-,hydrochloride(1:4);Methyl2-(2-(benzyloxycarbonylamino)propan-2-yl)-5-hydroxy-6-oxo-1
CBNumber
CB62454713
Molecular Formula
C17H19N3O6
Formula Weight
361.35
MOL File
519032-08-7.mol
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4-PYRIMIDINECARBOXYLIC ACID, 1,6-DIHYDRO-5-HYDROXY-2-[1-METHYL-1-[[(PHENYLMETHOXY)CARBONYL]AMINO]ETHYL]-6-OXO-, METHYL ESTER Property

Melting point:
186.3-187.0 °C
Density 
1.34±0.1 g/cm3(Predicted)
storage temp. 
2-8°C
solubility 
DMSO (Slightly), Methanol (Slightly)
pka
4.50±1.00(Predicted)
form 
Solid
color 
White to Off-White
InChI
InChI=1S/C17H19N3O6/c1-17(2,20-16(24)26-9-10-7-5-4-6-8-10)15-18-11(14(23)25-3)12(21)13(22)19-15/h4-8,21H,9H2,1-3H3,(H,20,24)(H,18,19,22)
InChIKey
NIVUTAZNLHLBAN-UHFFFAOYSA-N
SMILES
C1(C(C)(NC(OCC2=CC=CC=C2)=O)C)NC(=O)C(O)=C(C(OC)=O)N=1
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Safety

HazardClass 
IRRITANT
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H302Harmful if swallowed

H315Causes skin irritation

H319Causes serious eye irritation

H332Harmful if inhaled

H335May cause respiratory irritation

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

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N-Bromosuccinimide Price

TRC
Product number
D449235
Product name
1,6-Dihydro-5-hydroxy-2-[1-methyl-1-[[benzylcarbamoyl]amino]ethyl]-6-oxo-4-pyrimidinecarboxylicAcidMethylEster
Packaging
25mg
Price
$140
Updated
2021/12/16
Matrix Scientific
Product number
058669
Product name
Methyl 2-(2-{[(benzyloxy)carbonyl]amino}propan-2-yl)-5,6-dihydroxypyrimidine-4-carboxylate
Purity
95+%
Packaging
1g
Price
$180
Updated
2021/12/16
AK Scientific
Product number
X4815
Product name
Methyl2-(2-(benzyloxycarbonylamino)propan-2-yl)-5-hydroxy-6-oxo-1,6-dihydropyrimidine-4-carboxylate
Packaging
25g
Price
$220
Updated
2021/12/16
Matrix Scientific
Product number
058669
Product name
Methyl 2-(2-{[(benzyloxy)carbonyl]amino}propan-2-yl)-5,6-dihydroxypyrimidine-4-carboxylate
Purity
95+%
Packaging
5g
Price
$600
Updated
2021/12/16
American Custom Chemicals Corporation
Product number
CHM0069636
Product name
METHYL 2-(2-(BENZYLOXYCARBONYLAMINO)PROPAN-2-YL)-5-HYDROXY-6-OXO-1,6-DIHYDROPYRIMIDINE-4-CARBOXYLATE
Purity
95.00%
Packaging
500MG
Price
$864.17
Updated
2021/12/16
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4-PYRIMIDINECARBOXYLIC ACID, 1,6-DIHYDRO-5-HYDROXY-2-[1-METHYL-1-[[(PHENYLMETHOXY)CARBONYL]AMINO]ETHYL]-6-OXO-, METHYL ESTER Chemical Properties,Usage,Production

Chemical Properties

Brown Solid

Uses

An intermediate in the preparation of HIV-integrase inhibitors

Synthesis

518047-98-8

762-42-5

519032-08-7

The general procedure for the synthesis of methyl 2-(2-(benzyloxycarbonylamino)propan-2-yl)-5-hydroxy-6-oxo-1,6-dihydropyrimidine-4-carboxylate from benzyl [2-amino-2-(oximido)-1,1-dimethylethyl]carbamate and dimethyl ethynedicarboxylate was as follows: benzyl 2-amino-2-(hydroxyimino)-1,1-dimethylethyl carbamate ( 2.0 g, 8.0 mmol) was dissolved in 30 mL of methanol and dimethyl acetylenedicarboxylate (DMAD, 1.1 mL, 9.0 mmol) was added slowly. The reaction mixture was stirred at room temperature for 2 h. Subsequently, a white oil was obtained by concentration under reduced pressure. This oily substance was mixed with 80 mL of xylene and stirred at 90 °C for 2 hours, then warmed up to 120 °C for 2 hours and finally refluxed under nitrogen protection for 12 hours. After completion of the reaction, the mixture was concentrated to give the crude product. The crude product was purified by recrystallization with 2 mL of methanol and 10 mL of tert-butyl methyl ether to afford the target compound 5 as a yellow solid (1.7 g, 58% yield). Its 1H-NMR (DMSO-d6) data were as follows: δ 7.35 (m, 5H), 5.00 (s, 2H), 3.83 (s, 3H), 1.48 (s, 6H); ESI-MS m/z 360 (M-), 384 (M + Na+).

References

[1] Bioorganic and Medicinal Chemistry Letters, 2012, vol. 22, # 23, p. 7114 - 7118

4-PYRIMIDINECARBOXYLIC ACID, 1,6-DIHYDRO-5-HYDROXY-2-[1-METHYL-1-[[(PHENYLMETHOXY)CARBONYL]AMINO]ETHYL]-6-OXO-, METHYL ESTER Preparation Products And Raw materials

Raw materials

Preparation Products

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4-PYRIMIDINECARBOXYLIC ACID, 1,6-DIHYDRO-5-HYDROXY-2-[1-METHYL-1-[[(PHENYLMETHOXY)CARBONYL]AMINO]ETHYL]-6-OXO-, METHYL ESTER Suppliers

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Shanghai Feibo Chemical Technology Co., Ltd
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View Lastest Price from 4-PYRIMIDINECARBOXYLIC ACID, 1,6-DIHYDRO-5-HYDROXY-2-[1-METHYL-1-[[(PHENYLMETHOXY)CARBONYL]AMINO]ETHYL]-6-OXO-, METHYL ESTER manufacturers

Hebei Yanxi Chemical Co., Ltd.
Product
methyl 5-hydroxy-4-oxo-2-[2-(phenylmethoxycarbonylamino)propan-2-yl]-1H-pyrimidine-6-carboxylate 519032-08-7
Price
US $50.00/kg
Min. Order
1kg
Purity
0.99
Supply Ability
10000
Release date
2023-09-07
PNP Biotech Co. Ltd
Product
Methyl 2-(2-(benzyloxycarbonylamino)propan-2-yl)-5-hydroxy-6-oxo-1,6-dihydropyrimidine-4-carboxylate 519032-08-7
Price
US $0.00/kg
Min. Order
25kg
Purity
98%
Supply Ability
Inquiry
Release date
2022-10-20
Hebei Mingeng Biotechnology Co., Ltd
Product
methyl 5-hydroxy-4-oxo-2-[2-(phenylmethoxycarbonylamino)propan-2-yl]-1H-pyrimidine-6-carboxylate 519032-08-7
Price
US $200.00/KG
Min. Order
10g
Purity
99%
Supply Ability
500kg/month
Release date
2021-12-27

519032-08-7, 4-PYRIMIDINECARBOXYLIC ACID, 1,6-DIHYDRO-5-HYDROXY-2-[1-METHYL-1-[[(PHENYLMETHOXY)CARBONYL]AMINO]ETHYL]-6-OXO-, METHYL ESTERRelated Search:

5-Methyl-1,3,4-oxadiazole-2-carboxylic acid potassium salt BENZYL [1-[4-[[(4-FLUOROBENZYL)AMINO]CARBONYL]-5-HYDROXY-1-METHYL-6-OXO-1,6-DIHYDROPYRIMIDIN-2-YL]-1-METHYLETHYL]CARBAMATE 4-PYRIMIDINECARBOXYLIC ACID, 1,6-DIHYDRO-5-HYDROXY-1-METHYL-2-[1-METHYL-1-[[(PHENYLMETHOXY)CARBONYL]AMINO]ETHYL]-6-OXO-, METHYL ESTER 4-Pyrimidinecarboxylic acid, 1,6-dihydro-2-methyl-6-oxo- 6-Oxo-3H-pyrimidine-4-carboxylic acid 4-PYRIMIDINECARBOXYLIC ACID, 1,6-DIHYDRO-5-HYDROXY-2-[1-METHYL-1-[[(PHENYLMETHOXY)CARBONYL]AMINO]ETHYL]-6-OXO-, METHYL ESTER

  • InterMediate E of Raltegravir
  • 2-(2-(BenzyloxycarbonylaMino)propan-2-yl)-5-hydroxy-6-oxo-1,6-dihydropyriMidine-4-Methyl forMate
  • Methyl 2-[1-[[(benzyloxy)carbonyl]aMino]-1-Methylethyl]-5,6-dihydroxypyriMidine-4-carboxylate
  • Methyl2-(1-{[(benzyloxy)carbonyl]aMino}-1-Methylethyl)-5,6-dihydroxypyriMidine-4-carboxyllate
  • Methyl 2-(2-(benzyloxycarbonyl)propan-2-yl)-5-hydroxy-6-oxo-1,6-dihydropyriMidine-4-carboxylate
  • Methyl-2-(2-{[(benzyloxy)carbo
  • Methyl 2-(2-(benzyloxycarbonylamino)propan-2-yl)-5-hydroxy-6-oxo-l,6-dihydropyrimidine-4-carboxylate(Raltegravir)
  • 4-PYRIMIDINECARBOXYLIC ACID, 1,6-DIHYDRO-5-HYDROXY-2-[1-METHYL-1-[[(PHENYLMETHOXY)CARBONYL]AMINO]ETHYL]-6-OXO-, METHYL ESTER
  • methyl 5-hydroxy-4-oxo-2-[2-(phenylmethoxycarbonylamino)propan-2-yl]-1H-pyrimidine-6-carboxylate
  • Methyl 2-(2-(benzyloxycarbonylamino)propan-2-yl)-5-hydroxy-6-oxo-1,6-dihydropyrimidine-4-carboxylate
  • 1,6-Dihydro-5-hydroxy-2-[1-methyl-1-[[benzylcarbamoyl]amino]ethyl]-6-oxo-4-pyrimidinecarboxylic Acid Methyl Ester
  • 1,6-Dihydro-5-hydroxy-2-[1-methyl-1-[[benzylcarbamoyl]amino]ethyl]-6-oxo-4-pyrimidinecarboxylic Acid
  • Methyl 2-(2-{[(benzyloxy)carbonyl]amino}propan-2-yl)-5,6-dihydroxypyrimidine-4-carboxylate
  • Methyl 2-(2-(benzyloxycarbonylamino)propan-2-yl)-5-hydroxy-6-oxo-l,6-dihydropyrimidine-4-carboxylate
  • 6-dihydropyrimidine-4-carboxylate
  • Methyl2-(2-(benzyloxycarbonylamino)propan-2-yl)-5-hydroxy-6-oxo-1
  • (benzyloxycarbonylaMino)propan-2-yl)-5-hydroxy-6-oxo-1,6-dihydropyriMidine-4-carboxylate
  • LTGW-3
  • 2 - (2 - {[((benzyl oxygen) carbonyl] amino} c - 2 - base) - 5 - hydroxy - 6 - oxygen generation - 1, 6 - dihydro pyrimidine - 4 - carboxylic acid methyl ester
  • METHYL 2-(2-(BENZYLOXYCARBONYLAMINO)PROPAN-2-YL)-5-HYDROXY-6-OXO-1,6-DIHYDROPYRIMIDINE-4-CARBOXYLATE 519032-08-7
  • 7 - (benzyloxy) - 3,4,12,12a-tetrahydro-1h - [1,4] oxazine [3,4-c] pyrido [2,1-f] [1,2,4] triazine-6,8 Dione
  • methyl 2-[1-[[(benzyloxy)carbonyl]amino]-1-methylethyl]-5,6-...
  • Methyl 2-(2-(benzyloxycarbonylamino)propan-2-yl)-5-hydroxy-6-oxo-1,6-dihydropyrimidine-4-carb
  • 2-Piperidinecarboxylicacid,methylester,(2R)-,hydrochloride(1:4)
  • Methyl 2-(2-(benzyloxycarbonylamino
  • Lincomycin Impurity 4Hydrochloride(Lincomycin EP Impurity CHydrochloride)
  • 2-(2-((Benzyloxycarbonyl)amino)propan-2-yl)-5-hydroxy-6-oxo-1,6-dihydropyrimidine-4（UnclearStructure）
  • 519032-08-7
  • 519032-28-7
  • Heterocycle-Pyrimidine series
  • Amines
  • Aromatics
  • Heterocycles
  • Intermediates & Fine Chemicals
  • Pharmaceuticals
  • 519032-08-7