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BUTTPARK 146\18-29

$BUTTPARK 146\18-29 structure$ BUTTPARK 146\18-29 structure

CAS No:
108831-66-9
Formula:
C7H6N2OS
Chemical Name:
BUTTPARK 146\18-29
Synonyms:
BUTTPARK 146\18-29;6-METHYLTHIENO[2,3-D]PYRIMIDIN-4-OL;Thieno[2,3-d]pyrimidin-4(1H)-one, 6-methyl-;6-Methyl-3H,4H-thieno[2,3-d]pyriMidin-4-one;6-Methylthieno[2,3-d]pyrimidin-4(3H)-one;6-methyl-3H-thieno[3,2-e]pyrimidin-4-one;6-Methylthieno[2,3-d]Pyrimid-4-One;6-Methyl-1H-thieno[2,3-d]pyrimidin-4-one
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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Description

Yellow solid

BUTTPARK 146\18-29 Basic Attributes

Molecular Weight：

166.2

Exact Mass：

166.020081

DSSTox ID：

DTXSID40352732

HScode：

29335990

Characteristics

PSA：

69.7

XLogP3：

1.1

Density：

1.53±0.1 g/cm3(Predicted)

Melting Point：

195-200℃ (ethanol )

Boiling Point：

406.7±33.0 °C(Predicted)

Flash Point：

199.8±25.4 °C

Refractive Index：

1.753

Safety Information

hazard class code：

20/21/22

safety instructions：

3/7-36/37

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501

Hazard Statements：

H302

BUTTPARK 146\18-29 Use and Manufacturing

A suspension of ethyl 2-amino-5-methylthiophene-3-carboxylate (2.3 g, 0.43 mmol) and form amide (28 mL) was heated at 180°C for 16 h. After completion of the reaction, the reaction mixture was quenched with water (100 mL) and stirred for 30 minutes. The precipitated solid was filtered and washed with pentane and dried under suction to get the title compound 6-methylthieno[2, 3-d]pyrimidin-4(3H)-one (1.0 g, crude) as off white solid. [00126] Calculated (M+H): 167.02; Found (M+H): 167.1.

Computed Properties

Molecular Weight:166.20
XLogP3:1.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Exact Mass:166.02008399
Monoisotopic Mass:166.02008399
Topological Polar Surface Area:69.7
Heavy Atom Count:11
Complexity:217
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes