4-CHLORO-7-METHYLTHIENO[3,2-D]PYRIMIDINE
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![4-CHLORO-7-METHYLTHIENO[3,2-D]PYRIMIDINE structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/da29f65cf43a4ae1beb6fe985959057d.png "4-CHLORO-7-METHYLTHIENO[3,2-D]PYRIMIDINE")
4-CHLORO-7-METHYLTHIENO[3,2-D]PYRIMIDINE
structure -
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CAS No:
175137-21-0
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Formula:
C7H5ClN2S
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Chemical Name:
4-CHLORO-7-METHYLTHIENO[3,2-D]PYRIMIDINE
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Synonyms:
BUTTPARK 46\18-89;4-CHLORO-7-METHYLTHIENO[3,2-D]PYRIMIDINE;4-Chloro-7-methylthieno[2,3-d]pyrimidine;7-CHLORO-3-METHYLTHIENO(3,2-D)PYRIMIDINE;4-Chloro-7-methylthieno[3,2-d]pyrimidine 97%;4-Chloro-7-Methylthieno[3...;4-Chloro-7-methylthieno[3,2-d]pyrimidine97%
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CAS No:
4-CHLORO-7-METHYLTHIENO[3,2-D]PYRIMIDINE Basic Attributes
184.65
183.986191
DTXSID60380577
2934999090
Characteristics
54
2.6
1.445±0.06 g/cm3(Predicted)
124 °C
301.3±37.0 °C(Predicted)
136.0±26.5 °C
1.682
Safety Information
36
26
Xi
Irritant
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
H302
|Warning|H302 (75%): Harmful if swallowed [Warning Acute toxicity, oral]|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, and P501|Aggregated GHS information provided by 4 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
4-CHLORO-7-METHYLTHIENO[3,2-D]PYRIMIDINE Use and Manufacturing
4-Chloro-7-methylthieno[3, 2-d]pyrimidine (168): A solution of 7-methyl-3H-thieno[3, 2-d]pyrimid-4-one (167, 10.6 g, 64.0 mmol) in phosphorus oxychloride (42 mL) was refluxed under N7-methyl-3H-thieno[3, 2-d]pyrimidin-4-one (9 g, 54.2 mmol), DMF (lmL), POCl7-methyl-3H-thieno[3, 2-d]pyrimidin-4-one (9 g, 54.2 mmol), DMF (1 mL), POClSynthesis of intermediate XI 11-011-07 XIII-01A mixture of Intermediate 1-07 (4.85 g, 24.34 mnmol) and POCICommercially available methyl 3-amino-4-methylthiophene-2-carboxylate 13 (16.5 g, 96.0 mmol) was dissolved in formamide (100 mL) and stirred at 150 °C under nitrogen atmosphere. After the starting material consumption had been confirmed by LC-MS, the reaction mixture was cooled to room temperature and then HA solution of 7-methyl-3H-thieno[3, 2-d]pyrimid-4-one (3, 2.9 g, 18 mmol) in phosphorus oxychloride (18 mL) under NTo a solution of ammonium formate (5.1 g, 81 mmol) in formamide (25 mL) at 150° C. was added 3-(formylamino)-4-methyl-2-thiophenecarboxylic acid methyl ester (2, 5.0 g, 25 mmol) as a solid in small portions. Method A-10Synthesis of intermA mixture of Intermediate 1-05 (647 mg, 3.893 mmol) and POCI
Computed Properties
Molecular Weight:184.65
XLogP3:2.6
Hydrogen Bond Acceptor Count:3
Exact Mass:183.9861970
Monoisotopic Mass:183.9861970
Topological Polar Surface Area:54
Heavy Atom Count:11
Complexity:155
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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4-CHLORO-7-METHYLTHIENO[3,2-D]PYRIMIDINE
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