4-Chlorothieno[3,2-d]pyrimidine
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![4-Chlorothieno[3,2-d]pyrimidine structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/a45a8ef6430d4092a73144a512436947.png "4-Chlorothieno[3,2-d]pyrimidine")
4-Chlorothieno[3,2-d]pyrimidine
structure -
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CAS No:
16269-66-2
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Formula:
C6H3ClN2S
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Chemical Name:
4-Chlorothieno[3,2-d]pyrimidine
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Synonyms:
4-CHLOROTHIENO[2,3-D]PYRIMIDINE;4-CHLOROTHIENO[3,2-D]PYRIMIDINE;BUTTPARK 48\18-41;BUTTPARK 37\11-73;Thieno[3,2-d]pyrimidine, 4-chloro-;4-Chlorothieno[3,2-d]pyrimidine ,97%;4-Chlorothieno[3,2-b]pyrimidine;4-Chlorothieno[3,2-d]pyri...
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CAS No:
Characteristics
54
1.8
1.531±0.06 g/cm3(Predicted)
125 °C
285.7±20.0 °C(Predicted)
126.6±21.8 °C
1.710
Safety Information
IRRITANT
22-36/37/38-36-25
26-37/39-45
Xi,Xn,T
Irritant
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
|Warning|H302 (33.33%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 3 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
4-Chlorothieno[3,2-d]pyrimidine Use and Manufacturing
Preparation Example 3-3 To a solution of DMF (13.2 mL, 170 mmol) in DCM (100 mL) at 0°C was added oxalyl chloride (22 mL, 252 mmol) in DCM (100 mL) very slowly over 1 hour. To the resulting white gel solution was added the 3H-thieno [3, 2-d] pyrimidin-4-one (12 g, 79 mmol). The mixture was refluxed for 4 hours. After cooling, the mixture was purred into water (500 mL) and extracted with DCM (3x250 mL). Then the organic phase was dried over magnesium sulfate, filtered and concentrated to afford 7-chloro-thieno [3, 2-b] pyridine as white solid (13.4 g, 99percent). 1H NMR (CDCl3, 400 Hz) 8 9.00 (s, 1H), 8.06 (d, J=5.6Hz, 1H), 7.61 (d, J=5.6Hz, 1H). MS (ESI+) [M+H] + 170To a stirred solution of (COC1)
Computed Properties
Molecular Weight:170.62
XLogP3:1.8
Hydrogen Bond Acceptor Count:3
Exact Mass:169.9705470
Monoisotopic Mass:169.9705470
Topological Polar Surface Area:54
Heavy Atom Count:10
Complexity:133
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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