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1,2-Dihydro-2-oxo-5-pyrimidinecarboxylic acid ethyl ester

1,2-Dihydro-2-oxo-5-pyrimidinecarboxylic acid ethyl ester structure

CAS No:
95928-49-7
Formula:
C7H8N2O3
Chemical Name:
1,2-Dihydro-2-oxo-5-pyrimidinecarboxylic acid ethyl ester
Synonyms:
1,2-Dihydro-2-oxo-5-pyrimidinecarboxylic acid ethyl ester;5-PyriMidinecarboxylic acid, 1,2-dihydro-2-oxo-, ethyl ester;PyriMidin-5-carboxylic acid 1,2-dihydro-2-oxo-, ethyl ester;2-Oxo-1,2-dihydro-pyrimidine-5-carboxylic acid ethyl ester;2-Hydroxy-pyrimidine-5-carboxylic acid ethyl ester
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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1,2-Dihydro-2-oxo-5-pyrimidinecarboxylic acid ethyl ester Basic Attributes

Molecular Weight：

168

Exact Mass：

168.053497

DSSTox ID：

DTXSID30443163

HScode：

2933599090

Characteristics

PSA：

67.8

XLogP3：

-0.3

Density：

1.33

Flash Point：

176.0±25.7 °C

Refractive Index：

1.545

Safety Information

safety instructions：

24/25

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

1,2-Dihydro-2-oxo-5-pyrimidinecarboxylic acid ethyl ester Use and Manufacturing

Step 11c: To a solution of compound 203 (47 g, 280 mmol) in acetic acid (500 mL) was added bromine (49.0 g, 307 mmol). The mixture was heated at reflux for 2 h, cooled to room temperature, further cooled at 0-5°C and filtered to give the title compound 204 as a yellow solid (38 g, 54percent). LCMS: 169 [M+ljt ‘H NMR (400 MHz, D20): ö 1.28 (t, J 7.2 Hz, 3H), 4.32 (q, J 7.2 Hz, 2H), 9.00 (br, s, 2H).

Computed Properties

Molecular Weight:168.15
XLogP3:-0.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:168.05349212
Monoisotopic Mass:168.05349212
Topological Polar Surface Area:67.8
Heavy Atom Count:12
Complexity:268
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1,2-Dihydro-2-oxo-5-pyrimidinecarboxylic acid ethyl ester

Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
Latest News
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1,2-Dihydro-2-oxo-5-pyrimidinecarboxylic acid ethyl ester

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