THIENO[3,2-B]THIOPHENE-2-CARBOXYLIC ACID
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![THIENO[3,2-B]THIOPHENE-2-CARBOXYLIC ACID structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/35d43cabc1fe4afcbdf9f88c33e7b1e2.png "THIENO[3,2-B]THIOPHENE-2-CARBOXYLIC ACID")
THIENO[3,2-B]THIOPHENE-2-CARBOXYLIC ACID
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CAS No:
1723-27-9
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Formula:
C7H4O2S2
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Chemical Name:
THIENO[3,2-B]THIOPHENE-2-CARBOXYLIC ACID
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Synonyms:
THIENO[3,2-B]THIOPHENE-2-CARBOXYLIC ACID;BUTTPARK 145\50-55;thieno[3,2-b]thiophene-5-carboxylic acid;Thieno[3,2-b]thiophene-2-carboxylic Acid
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CAS No:
Characteristics
93.8
2.6
1.601±0.06 g/cm3(Predicted)
225-227
386.7±22.0 °C(Predicted)
187.6±22.3 °C
1.770
1.14E-06mmHg at 25°C
Safety Information
IRRITANT
36/37/38-41
26-37/39-39
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 (50%): 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.
THIENO[3,2-B]THIOPHENE-2-CARBOXYLIC ACID Use and Manufacturing
Under a nitrogen atmosphere, lithium hydroxide monohydrate (17. 8 Kg, 662.4 mol, 1.47 eq), H20 (440.0 OKg) was added to the 2000 L autoclave and stirred to dissolve the lithium hydroxide monohydrate in water. At room temperature, the intermediate 3 (95.5 Å, 449.8111 01, 1.069) was pumped into the reaction mixture, followed by 1 '(379.5 ). Heating to reflux (about 100 ° C) for 3 hours, cooling to 35 to 40 ° C and removing the tetrahydrofuran by rotary evaporation under reduced pressure under a nitrogen atmosphere Water (200 Kg) was added to the reaction vessel Controlled temperature below 20 ° C (74.6 Kg), filtered and the filter cake was washed three times with cold water (20 Kg) and centrifuged until no liquid was obtained, product 4 (146 Kg, yield 100percent)..According to Scheme 3, first, compound c (27 g, 0.141 mol) was mixed with K
Computed Properties
Molecular Weight:184.2
XLogP3:2.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:183.96527171
Monoisotopic Mass:183.96527171
Topological Polar Surface Area:93.8
Heavy Atom Count:11
Complexity:183
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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THIENO[3,2-B]THIOPHENE-2-CARBOXYLIC ACID
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