4-[2-(2-Amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoic Acid Methyl Ester

Basic Information

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CAS Number

155405-80-4

Molecular Formula

C16H16N4O3

Molecular Weight

312.32 g/mol

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 Amines

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

Powder

Boiling Point

562.3°C at 760 mmHg

Flash Point

293.9°C

Refractive Index

1.691

SMILES

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COC(=O)C1=CC=C(C=C1)CCC2=CNC3=C2C(=O)NC(=N3)N

InChI

InChI=1S/C16H16N4O3/c1-23-15(22)10-5-2-9(3-6-10)4-7-11-8-18-13-12(11)14(21)20-16(17)19-13/h2-3,5-6,8H,4,7H2,1H3,(H4,17,18,19,20,21)

InChIKey

GDEKSBCRJKAARB-UHFFFAOYSA-N

LogP

1.98640

Complexity

500

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

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

Synonyms & References

English

A24996
4-[2-(2-Amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoic Acid Methyl Ester
Methyl 4-(2-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo-[2,3-d]pyrimidin-5-yl)ethyl)benzoate
DTXSID30452316
methyl 4-[2-(2-amino-4,7-dihydro-4-oxo-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoate
AKOS015968568
Methyl 4-[2-(2-amino-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoate
4-[2-(2-amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5yl)ethyl]benzoic acid methyl ester
Methyl 4-(2-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl)benzoate
4-[2-(2-Amino-4,7-dihydro-4-oxo-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoic acid methyl ester
4-[2-(2-amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl) ethyl]benzoic acid methyl ester
AKOS015896252
GDEKSBCRJKAARB-UHFFFAOYSA-N
Benzoic acid, 4-[2-(2-amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]-, methyl ester; Benzoic acid, 4-[2-(2-amino-4,7-dihydro-4-oxo-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]-, methyl ester (9CI); 1H-Pyrrolo[2,3-d]pyrimidine, benzoic acid deriv.
Methyl 4-(2-(2-amino-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl)benzoate;Methyl 4-(2-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl)benzoate
DS-15646
4-(2-(2-amino-4,7-dihydro-4-oxo-1h-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl)benzoic acid methyl ester
Methyl 4-[2-(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoate
SCHEMBL1238667
4-(2-[2-amino-4-oxo-3,7-dihydropyrrolo[2,3 -d]pyrimidin-5-yl]ethyl)benzoic acid methyl ester
155405-80-4
CS-0150665
methyl 4-[2-(2-amino-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoate
SCHEMBL8855177
FT-0657944
methyl 4-[2-(2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoate
J-514225
Methyl4-(2-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl)benzoate
J-009193
Methyl 4-(2-(2-amino-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl)benzoate
AC-3504

MDL Number

MFCD17976681

Customs Code

2933990090

FAQ

What is 4-[2-(2-Amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoic Acid Methyl Ester (CAS: 155405-80-4)?

4-[2-(2-Amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoic Acid Methyl Ester (CAS: 155405-80-4) is a synthetic organic compound with the molecular formula C17H17N5O3. It features a benzoic acid methyl ester group linked to a pyrrolo[2,3-d]pyrimidine ring system, which includes amino and oxo functional groups. This compound is known for its structural complexity and potential applications in pharmaceutical research.

What are the main uses of 4-[2-(2-Amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoic Acid Methyl Ester (CAS: 155405-80-4)?

This compound is primarily used as a pharmaceutical intermediate in the development of drugs targeting metabolic disorders and cancer. Its unique structure makes it valuable in research for synthesizing bioactive molecules. It may also find applications in chemical synthesis and industrial processes requiring specialized functional groups, though specific uses depend on further studies and regulatory approvals.

Is 4-[2-(2-Amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoic Acid Methyl Ester (CAS: 155405-80-4) safe?

Safety of 4-[2-(2-Amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoic Acid Methyl Ester (CAS: 155405-80-4) depends on exposure conditions. It is generally considered hazardous due to potential irritant properties; thus, proper handling, such as wearing gloves and eye protection, is essential. Always follow safety data sheets (SDS) and regulatory guidelines for safe use in laboratories or industrial settings.

How should 4-[2-(2-Amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoic Acid Methyl Ester (CAS: 155405-80-4) be stored?

Store 4-[2-(2-Amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoic Acid Methyl Ester (CAS: 155405-80-4) in a sealed, cool (≤25°C), and dry container, away from light and moisture. Maintain humidity levels below 60% and avoid exposure to incompatible substances. Use airtight containers to preserve stability and prevent degradation over time.