ethyl 2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate - ≥97% , CAS No.33458-27-4

CAS: 33458-27-4 Cat. No.: E633631 Molecular Weight: 170.17 PubChem CID: 10844865
AVAILABLE TO ORDER
GRADE & PURITY ≥97%
Synonyms
FS-2381 | MFCD10688281 | DTXSID60445635 | SCHEMBL1284263 | DYEUWQNJWMPQAL-UHFFFAOYSA-N | 2-Oxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid ethyl ester | 5-pyrimidinecarboxylic acid,1,2,3,4-tetrahydro-2-oxo-,ethyl ester | ethyl 1,2,3,4-tetrahydro-2-oxo
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
250mg
E633631-250mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$89.90
500mg
E633631-500mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$144.90
1g
E633631-1g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$286.90
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Why this grade

≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships Normal Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
FS-2381 | MFCD10688281 | DTXSID60445635 | SCHEMBL1284263 | DYEUWQNJWMPQAL-UHFFFAOYSA-N | 2-Oxo-1, 2, 3, 4-tetrahydro-pyrimidine-5-carboxylic acid ethyl ester | 5-pyrimidinecarboxylic acid, 1, 2, 3, 4-tetrahydro-2-oxo-, ethyl ester | ethyl 1, 2, 3, 4-tetrahydro-2-oxo
Specifications & Purity
≥97%
Storage
Room temperature
Shipped In
Normal
Purity
≥97%
Names and Identifiers
Canonical SmilesCCOC(=O)C1=CNC(=O)NC1
IUPAC Nameethyl 2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
InChIKeyDYEUWQNJWMPQAL-UHFFFAOYSA-N
INCHI1S/C7H10N2O3/c1-2-12-6(10)5-3-8-7(11)9-4-5/h3H,2,4H2,1H3,(H2,8,9,11)
Isomeric SMILES CCOC(=O)C1=CNC(=O)NC1
Alternate CAS 33458-27-4
PubChem CID 10844865
Molecular Weight 170.17

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassDiazines
SubclassPyrimidines and pyrimidine derivatives
Intermediate Tree Nodes Hydropyrimidines
Direct ParentHydropyrimidine carboxylic acids and derivatives
Alternative Parents Pyrimidones  Vinylogous amides  Enoate esters  Ureas  Monocarboxylic acids and derivatives  Azacyclic compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAliphatic heteromonocyclic compounds
Substituents Hydropyrimidine carboxylic acid derivative - Pyrimidone - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Vinylogous amide - Carboxylic acid ester - Urea - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Azacycle - Organic oxide - Carbonyl group - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Aliphatic heteromonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as hydropyrimidine carboxylic acids and derivatives. These are compounds containing a hydrogenated pyrimidine ring which bears a carboxylic acid group.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
Molecular Weight170.170 g/mol
XLogP3-0.700
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass170.069 Da
Monoisotopic Mass170.069 Da
Topological Polar Surface Area67.400 Ų
Heavy Atom Count12
Formal Charge0
Complexity235.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
Reviews

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