Methyl 2-(2-(((benzyloxy)carbonyl)amino)propan-2-yl)-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidine-4-carboxylate

Basic Information

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CAS Number

888504-27-6

Molecular Formula

C18H21N3O6

Molecular Weight

375.38 g/mol

EINECS

922-554-0

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Physical State

Off-White

Melting Point

190-195°C

Boiling Point

No data available

Density

1.29±0.1 g/cm3(Predicted)

Flash Point

No data available

Solubility

DMSO

Refractive Index

1.58

SMILES

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CC(C)(C1=NC(=C(C(=O)N1C)O)C(=O)OC)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C18H21N3O6/c1-18(2,20-17(25)27-10-11-8-6-5-7-9-11)16-19-12(15(24)26-4)13(22)14(23)21(16)3/h5-9,22H,10H2,1-4H3,(H,20,25)

InChIKey

SNDXNBICJATRDW-UHFFFAOYSA-N

LogP

1.4339999999999995

pKa

4.50±1.00(Predicted)

Topological Polar Surface Area

119.75000000000001 Å²

Hydrogen Bond Donor/Acceptor

2 / 9

Complexity

677

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

1,6-dihydro-5-hydroxy-1-methyl-2-[1-methyl-1-[[(phenylmethoxy)carbonyl]amino]ethyl]-6-oxo-4-Pyrimidinecarboxylic acid methyl ester
1,6-Dihydro-5-hydroxy-1-methyl-2-[1-methyl-1-[[benzylcarbamoyl]amino]ethyl]-6-oxo-4-pyrimidinecarboxylic Acid Methyl Ester
Raltegravir Intermediate 2
InterMediate C of Raltegravir
1,6-Dihydro-5-hydroxy-1-Methyl-2-[1-Methyl-1-[[(phenylMethoxy)carbonyl]aMino]ethyl]-6-oxo-4-pyriMidineMethyl forMate
1,6-Dihydro-5-hydroxy-1-Methyl-2-[1-Methyl-1-[[benzylcarbaMoyl]a
Methyl 2-(2-{[(benzyloxy)carbonyl]aMino}propan-2-yl)-5-hydroxy-1-Methyl-6-oxo-1,6-dihydropyriMidine-4-carboxylate
Methyl 2-(2-(((benzyloxy)carbonyl)amino)propan-2-yl)-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidi
Methyl 2-(2-(((benzyloxy)carbonyl)amino)propan-2-yl)-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidine-4-carboxylate
1,6-DIHYDRO-5-HYDROXY-1-METHYL-2-[1-METHYL-1-[[(PHENYLMETHOXY)CARBONYL]AMINO]ETHYL]-6-OXO-4-PYRIMIDINECARBOXYLIC ACID M...
1,6-Dihydro-5-hydroxy-1-methyl-2-[1-methyl-1-[[benzylcarbamoyl]amino]ethyl]-6-oxo-4-pyrimidinecarboxylic Acid Methyl Es...
4-PYRIMIDINECARBOXYLIC ACID, 1,6-DIHYDRO-5-HYDROXY-1-METHYL-2-[1-METHYL-1-[[(PHENYLMETHOXY)CARBONYL]AMINO]ETHYL]-6-OXO-,
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-5-HYDROXY-1-METHYL-2-[1-METHYL-1-[[(PHENYLMETHOXY)CARBONYL]AMINO]ETHYL]-6-OXO-...
methyl 5-hydroxy-1-methyl-6-oxo-2-[2-(phenylmethoxycarbonylamino)propan-2-yl]pyrimidine-4-carboxylate
methyl 2-(2-{[(benzyloxy)carbonyl]amino}propan-2-yl)-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidine-4-carboxylate
4-Pyrimid
CID 54690598
Methyl 1,6-dihydro-5-hydroxy-1-methyl-2-[1-methyl-1-[[(phenylmethoxy)carbonyl]amino]ethyl]-6-oxo-4-pyrimidinecarboxylate (ACI)
2-(1-Benzyloxycarbonylamino-1-methylethyl)-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidine-4-carboxylic acid Methyl Ester
69MXV4D5DS
DTXSID40715848
Methyl 2-(2-(((benzyloxy)carbonyl)amino)propan-2-yl)-5-hydroxy-1-methyl-6-oxo-1 pound not6-dihydropyrimidine-4-carboxylate
1,6-DIHYDRO-5-HYDROXY-1-METHYL-2-[1-METHYL-1-[[BENZYLCARBAMOYL]AMINO]ETHYL]-6-OXO-4-PYRIMIDINECARBOXYLIC ACID METHYL ESTER
1,6-dihydro-5-hydroxy-1-methyl-2-(1-methyl-1-(((phenylmethoxy)carbonyl)amino)ethyl)-6-oxo-4-pyrimidinecarboxylic acid methyl ester
C18H21N3O6
CS-W005294
AC-25867
888504-27-6
SB57891
Methyl 2-(1-Cbz-NH-i-Pr)-5-OH-1-Me-6-oxo-1,6-dihydropyrimidine-4-carboxylate

MDL Number

MFCD10698809

EC Number

922-554-0

Customs Code

2933599090

FAQ

What regulatory guidelines apply to Methyl 2-(2-(((benzyloxy)carbonyl)amino)propan-2-yl)-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidine-4-carboxylate (CAS: 888504-27-6)?

Methyl 2-(2-(((benzyloxy)carbonyl)amino)propan-2-yl)-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidine-4-carboxylate (CAS: 888504-27-6) is subject to various regulatory guidelines including GHS classification for hazardous chemicals, REACH regulations in the EU, and FDA/EPA requirements for pharmaceutical and chemical products. These guidelines cover safety data sheets, classification, labeling, and handling procedures.

Are there alternatives to Methyl 2-(2-(((benzyloxy)carbonyl)amino)propan-2-yl)-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidine-4-carboxylate (CAS: 888504-27-6) in synthesis?

There are alternative reagents and synthetic methods that can be used in place of Methyl 2-(2-(((benzyloxy)carbonyl)amino)propan-2-yl)-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidine-4-carboxylate (CAS: 888504-27-6). Common alternatives include other pyrimidine derivatives and similar chemical structures that can be synthesized using different protecting groups or reaction conditions.

What is the market or research trend for Methyl 2-(2-(((benzyloxy)carbonyl)amino)propan-2-yl)-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidine-4-carboxylate (CAS: 888504-27-6)?

Methyl 2-(2-(((benzyloxy)carbonyl)amino)propan-2-yl)-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidine-4-carboxylate (CAS: 888504-27-6) is currently trending in research and development, particularly in the pharmaceutical and biotechnology sectors. Market trends indicate increasing interest in its use as an intermediate in drug discovery and synthesis of bioactive compounds.

How should waste containing Methyl 2-(2-(((benzyloxy)carbonyl)amino)propan-2-yl)-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidine-4-carboxylate (CAS: 888504-27-6) be handled?

Waste containing Methyl 2-(2-(((benzyloxy)carbonyl)amino)propan-2-yl)-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidine-4-carboxylate (CAS: 888504-27-6) should be handled according to local and international waste management regulations. This typically involves collection in appropriate containers, neutralization to reduce acidity, and disposal through incineration or professional hazardous waste disposal services. Environmental precautions must be taken to prevent contamination of soil and water resources.