Ethyl 6-(chloromethyl)-4-(4-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Basic information
- CAS
475042-38-7- Standard SMILES
CCOC(=O)C1=C(CCl)NC(=O)NC1c1ccc(OC)cc1- InChIKey
KRXMBPNXXZLNMZ-UHFFFAOYSA-N- Molecular formula
- C15H17ClN2O4
- Average molar mass
- 324.76 g/mol
- Monoisotopic mass
- 324.0876847
Names & identifiers
- Preferred name
- Ethyl 6-(chloromethyl)-4-(4-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
- IUPAC
- ethyl 6-(chloromethyl)-4-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
- English name
- 6-Chloromethyl-4-(4-methoxy-phenyl)-2-oxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid ethyl ester
- Molecular formula
- C15H17ClN2O4
- Molecular weight
- 324.76
Names & synonyms
475042-38-7ethyl 6-(chloromethyl)-4-(4-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylateDTXSID60391688RefChem:344484DTXCID10342549958-994-56-Chloromethyl-4-(4-methoxy-phenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid ethyl esterethyl 6-(chloromethyl)-4-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylateMFCD007497766-chloromethyl-4-(4-methoxy-phenyl)-2-oxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid ethyl esterAUA04238STK397413
Show more names
AKOS BC-3109AKOS B022865ART-CHEM-BB B0228655-Pyrimidinecarboxylic acid, 6-(chloromethyl)-1,2,3,4-tetrahydro-4-(4-methoxyphenyl)-2-oxo-, ethyl ester
AKOS000311459BS-3308SB58522CS-0452823EN300-09259Z56346912ethyl 6-chloromethyl-4-(4-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate6-chloromethyl-4-(4-methoxy-phenyl)-2-oxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid ethyl este
Database identifiers
- CAS
475042-38-7- PubChem CID
- 3349587
- DTXSID
DTXSID60391688- EC Number
- 958-994-5
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 76.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 458
Physicochemical properties
- Melting point
- 185 · 185-186 °C(Solv: ethanol (64-17-5))
- Boiling point
- 449.5 · 449.5±45.0 °C(Predicted)
- Density
- 1.253 · 1.253±0.06 g/cm3(Predicted)
- pka
- 10.86 · 10.86±0.70(Predicted)
- HS Code
- 2933599590 · 2933599590
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2933599590
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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