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4,6-Dimethyl 4,6-pyrimidinedicarboxylate

4,6-Dimethyl 4,6-pyrimidinedicarboxylate structure

CAS No:
6345-43-3
Formula:
C8H8N2O4
Chemical Name:
4,6-Dimethyl 4,6-pyrimidinedicarboxylate
Synonyms:
4,6-Pyrimidinedicarboxylic acid,4,6-dimethyl ester;4,6-Pyrimidinedicarboxylic acid,dimethyl ester;4,6-Dimethyl 4,6-pyrimidinedicarboxylate;Dimethyl 4,6-pyrimidinedicarboxylate;NSC 44349;4,6-Bis(methoxycarbonyl)pyrimidine
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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4,6-Dimethyl 4,6-pyrimidinedicarboxylate Basic Attributes

Molecular Weight：

196.16

Exact Mass：

196.16

EC Number：

929-172-3

NSC Number：

44349

DSSTox ID：

DTXSID70286238

HScode：

2933599090

Characteristics

PSA：

78.4

XLogP3：

0.6

Density：

1.293g/cm3

Melting Point：

82-83 °C @ Solvent: Ligroine

Boiling Point：

305.7°C at 760 mmHg

Flash Point：

138.7ºC

Refractive Index：

1.518

Safety Information

hazard class code：

36/37/38

safety instructions：

26-36/37/39

4,6-Dimethyl 4,6-pyrimidinedicarboxylate Use and Manufacturing

10g (0.059 mol) of pyrimidine-4, 6-dicarboxylic acid were suspended in 1.4 l of methanol, after which 10.93 ml (0.356 mol) of concentrated hydrochloric acid were added and the mixture was stirred under reflux (65°C) for 3 hours (h). The reaction mixture was concentrated under reduced pressure after which the residue was taken up once again in methanol; the mixture was filtered and the resulting solution was concentrated.[0121] Yield 11.02 g (94.4percent) MS (ES +): m/e = 197.20

Computed Properties

Molecular Weight:196.16
XLogP3:0.6
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:196.04840674
Monoisotopic Mass:196.04840674
Topological Polar Surface Area:78.4
Heavy Atom Count:14
Complexity:209
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4,6-Dimethyl 4,6-pyrimidinedicarboxylate

Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Latest News
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4,6-Dimethyl 4,6-pyrimidinedicarboxylate

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