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Cas Database |
| Name |
2-Thiopheneethanol |
EINECS | 226-452-0 |
| CAS No. | 5402-55-1 | Density | 1.173 g/cm3 |
| PSA | 48.47000 | LogP | 1.28290 |
| Solubility | slightly soluble in water | Melting Point |
N/A |
| Formula | C6H8OS | Boiling Point | 223 °C at 760 mmHg |
| Molecular Weight | 128.195 | Flash Point | 101.1 °C |
| Transport Information | N/A | Appearance | clear colorless to slightly brown liquid |
| Safety | 23-24/25-36-26 | Risk Codes | 36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
2-(2-Hydroxyethyl)thiofuran;2-(2-Hydroxyethyl)thiophene;2-(2-Thienyl)-1-ethanol;2-(2-Thienyl)ethanol;2-(Thiophen-2-yl)ethanol;NSC 5136;thiophene-2- ethanol;Thiophene-2-Ethanol; |
Article Data | 42 |
2-Thiopheneethanol Synthetic route
- 57382-97-5
ethyl thiophen-2-ylacetate
- 5402-55-1
2-thiophenethanol
| Conditions | Yield |
|---|---|
| With phenylsilane; cobalt(II) diacetate tetrahydrate; sodium triethylborohydride In 1,2-dimethoxyethane; toluene at 25℃; for 15h; Reagent/catalyst; Solvent; Temperature; Inert atmosphere; Schlenk technique; | 100% |
| Stage #1: ethyl thiophen-2-ylacetate With sodium tetrahydroborate In tetrahydrofuran at 70℃; for 0.25h; Stage #2: In tetrahydrofuran; methanol at 70℃; for 0.15h; | 94% |
| With ethylmagnesium bromide; poly(methylhydrosiloxane); bis(cyclopentadienyl)titanium dichloride In tetrahydrofuran; diethyl ether for 17.5h; Ambient temperature; | 89% |
- 19432-68-9
methyl 2-thiopheneacetate
- 5402-55-1
2-thiophenethanol
| Conditions | Yield |
|---|---|
| Stage #1: methyl 2-thiopheneacetate With diethylzinc; lithium chloride In tetrahydrofuran; hexane at 20℃; for 6h; Inert atmosphere; Stage #2: With sodium hydroxide In tetrahydrofuran; hexane; water at 20℃; for 8h; Inert atmosphere; chemoselective reaction; | 98% |
| Stage #1: methyl 2-thiopheneacetate With sodium tetrahydroborate In tetrahydrofuran at 70℃; for 0.25h; Stage #2: In tetrahydrofuran; methanol at 70℃; for 0.15h; | 97% |
| With strain of the zygomycete fungus S. racemosum MUT 770 In dimethyl sulfoxide for 72h; Enzymatic reaction; | 96% |
| Conditions | Yield |
|---|---|
| With dimethylsulfide borane complex In tetrahydrofuran at 0 - 20℃; for 6h; | 97% |
| With tricarbonyl(η(4)-cycloocta-1,5-diene)iron; phenylsilane In tetrahydrofuran at 20℃; for 24h; Inert atmosphere; UV-irradiation; chemoselective reaction; | 95% |
| With indium(III) bromide; 1,1,3,3-Tetramethyldisiloxane In chloroform at 60℃; for 2h; Inert atmosphere; | 73% |
- 75-21-8
oxirane
- 63762-35-6
2,5-dilithiothiophene
A
- 5402-55-1
2-thiophenethanol
B
- 131202-62-5
2,2′-(thiophene-2,5-diyl)diethanol
| Conditions | Yield |
|---|---|
| In hexane 1) -10 deg C, 2 h, 2) r.t., 24 h; | A 95% B 5% |
- 160744-11-6
2-[2-(tert-butyldimethylsilyloxy)ethyl]thiophene
- 5402-55-1
2-thiophenethanol
| Conditions | Yield |
|---|---|
| With Povidone-Iodine In methanol at 30℃; for 1h; Solvent; Temperature; | 91% |
- 35320-27-5
2,2,2-trichloro-1-(thien-2-yl)-ethanol
- 5402-55-1
2-thiophenethanol
| Conditions | Yield |
|---|---|
| With lithium borohydride; sodium hydroxide In isopropyl alcohol Temperature; Jocic Reaction; Heating; Inert atmosphere; | 89% |
| Conditions | Yield |
|---|---|
| Stage #1: thiophene With sodium; polyethylene; isoprene In tetrahydrofuran; toluene at -1 - 1℃; for 3.5h; Stage #2: oxirane In tetrahydrofuran; toluene at 19 - 21℃; for 2h; Stage #3: With water; ammonium chloride In tetrahydrofuran; toluene at 0 - 22℃; for 0.25h; Product distribution / selectivity; Cooling with ice-methanol bath; | 83% |
| Stage #1: thiophene With cis-Octadecenoic acid; sodium; isopropenylbenzene In tetrahydrofuran; toluene at -1 - 1℃; for 3.5h; Stage #2: oxirane In tetrahydrofuran; toluene at 19 - 21℃; for 2h; Stage #3: With water In tetrahydrofuran; toluene at 0 - 20℃; for 0.166667 - 0.25h; Product distribution / selectivity; Cooling with ice-methanol bath; | 83% |
| Stage #1: thiophene With cis-Octadecenoic acid; sodium; 2,3-dimethyl-buta-1,3-diene In tetrahydrofuran; toluene at -1 - 1℃; for 2h; Stage #2: oxirane In tetrahydrofuran; toluene at 20℃; for 0.333333h; Stage #3: With water In tetrahydrofuran; toluene at 0 - 13℃; for 0.5h; Product distribution / selectivity; | 83% |
| With n-butyllithium In tetrahydrofuran; hexane at 0℃; | 68% |
| With n-butyllithium; diethyl ether |
| Conditions | Yield |
|---|---|
| Stage #1: thiophene With n-butyllithium In tetrahydrofuran; hexane at -78℃; Stage #2: ethyleneglycol sulfate In tetrahydrofuran; hexane at -78 - 20℃; Stage #3: With sulfuric acid In tetrahydrofuran; hexane for 3h; Heating; Further stages.; | 79% |
A
- 5402-55-1
2-thiophenethanol
| Conditions | Yield |
|---|---|
| With 2,2'-azobis(isobutyronitrile); tri-n-butyl-tin hydride In benzene for 12h; Heating; | A 74% B 13% C 9% |
- 5402-55-1
2-thiophenethanol
| Conditions | Yield |
|---|---|
| Stage #1: thiophen-2-yl-acetic acid propyl ester With sodium tetrahydroborate In tetrahydrofuran at 70℃; for 0.25h; Stage #2: In tetrahydrofuran; methanol at 70℃; for 0.15h; | 68% |
2-Thiopheneethanol Specification
2-Thiopheneethanol, its cas register number is 5402-55-1. It also can be called 2-(2-Hydroxyethyl)thiophene; 2-(2-Thienyl)ethanol; Ethanol, 2-(2-thienyl)-; Thiophen-2-ethanol. It is a clear colorless to slight colored liquid. It belongs to the Product Categories of Heterocycles; Thiophene&Benzothiophene; Alkohols; Heterocyclic Compounds; Thiophens.
Physical properties about 2-Thiopheneethanol are: (1)ACD/LogP: 1.237; (2)ACD/LogD (pH 5.5): 1.24; (3)ACD/LogD (pH 7.4): 1.24; (4)ACD/BCF (pH 5.5): 5.13; (5)ACD/BCF (pH 7.4): 5.13; (6)ACD/KOC (pH 5.5): 112.23; (7)ACD/KOC (pH 7.4): 112.23; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.568; (12)Molar Refractivity: 35.721 cm3; (13)Molar Volume: 109.236 cm3; (14)Polarizability: 14.161 10-24cm3; (15)Surface Tension: 45.5349998474121 dyne/cm; (16)Density: 1.174 g/cm3; (17)Flash Point: 101.111 °C; (18)Enthalpy of Vaporization: 48.567 kJ/mol; (19)Boiling Point: 223.027 °C at 760 mmHg; (20)Vapour Pressure: 0.0560000017285347 mmHg at 25°C
When you are using 2-Thiopheneethanol, please be cautious about it as the following:
1. Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer);
2. Avoid contact with skin and eyes;
3. Wear suitable protective clothing;
4. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice;
You can still convert the following datas into molecular structure:
(1)InChI=1S/C6H8OS/c7-4-3-6-2-1-5-8-6/h1-2,5,7H,3-4H2;
(2)InChIKey=VMJOFTHFJMLIKL-UHFFFAOYSA-N;
(3)SmilesOCCc1sccc1;
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