Methyl α-hydroxy-α-2-thienyl-2-thiopheneacetate
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Methyl α-hydroxy-α-2-thienyl-2-thiopheneacetate
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CAS No:
26447-85-8
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Formula:
C11H10O3S2
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Chemical Name:
Methyl α-hydroxy-α-2-thienyl-2-thiopheneacetate
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Synonyms:
2-Thiopheneacetic acid,α-hydroxy-α-2-thienyl-,methyl ester;Glycolic acid,di-2-thienyl-,methyl ester;Methyl α-hydroxy-α-2-thienyl-2-thiopheneacetate;Methyl di-2-thienylglycolate;Di-2-thienylglycolic acid methyl ester;Dithienylglycolic acid methyl ester;Hydroxydithien-2-ylacetic acid methyl ester;Methyl hydroxy(di-2-thienyl)acetate;Methyl 2,2-di(2-thienyl)glycolate
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CAS No:
Methyl α-hydroxy-α-2-thienyl-2-thiopheneacetate Basic Attributes
254.33
254.33
607-936-4
DTXSID10465166
2934999090
Safety Information
P260, P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P309+P311, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501
H302
|Warning|H302+H312 (14.29%): Harmful if swallowed or in contact with skin [Warning Acute toxicity, oral; acute toxicity, dermal]|P260, P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P309+P311, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 8 companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Methyl α-hydroxy-α-2-thienyl-2-thiopheneacetate Use and Manufacturing
2-Bromothiophene (9.68 mL, 0.1 mol) was slowly added to a stirred mixture of magnesium turnings (2.7 g, 0.11 mol) in diethyl ether (100 mL) under a nitrogen atmosphere at 0° C. The reaction mixture was stirred at 35° C. for 3 h and then dimethyl oxalate (5.9 g, 0.05 mol) in diethyl ether (150 mL) was added dropwise. The reaction mixture was heated at reflux (45° C.) for 45 min and then the mixture was allowed to cool to ambient temperature and 1.25 M sulfuric acid (150 mL) was added. The reaction mixture was stirred at ambient temperature for 1 h and then the organic layer was separated and washed with dilute aqueous sodium bicarbonate solution (100 mL), water (100 mL), dried with sodium sulfate, filtered and concentrated under reduced pressure. The resulting solid residue was recrystallized from tetrachloromethane (1 g/3 mL) to yield the title compound (7.68 g, 30 mmol, 60percent).
Intermediate in the production of Tiotropium Bromide, a long-acting bronchodilator.
Computed Properties
Molecular Weight:254.3
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:254.00713652
Monoisotopic Mass:254.00713652
Topological Polar Surface Area:103
Heavy Atom Count:16
Complexity:254
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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Business licensedTrader Supplier of Peptides,Chemicals,API,AdditivesInquiryCAS No.: 26447-85-8Grade: Industrial GradeContent: 99%
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Methyl α-hydroxy-α-2-thienyl-2-thiopheneacetate
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