2-Thiopheneethanol
What is 2-Thiopheneethanol, cas no. 5402-55-1,a producer telling you the result.
CAS NO. 5402-55-1
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To begin with, let us tell you what is the basic information of 2-Thiopheneethanol CAS NO. 5402-55-1 ?
|
Molecular Formula |
C6H8OS |
Molecular Weight |
128.192 |
|
Density |
1.153 |
Boiling Point |
108 ºC (13 mmHg) |
|
Flash Point |
101 ºC |
Exact Mass |
128.029587 |
Like many stuff, it has many synonyms as follows
|
MFCD00005462 |
|
EINECS 226-452-0 |
|
THIOPHENE-2-ETHYANOL |
|
Thiopheneethanol |
|
2-THIENYLETHANOL |
|
2-(2-Thienyl)ethanol |
|
2-Thiophenethanol |
First, the chemical is very special, some technical indexes as below
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Physical property data
1. Appearance: Colorless or pale yellow clear liquid
2. Density (g/mL, 25/4 ℃): 1.153
3. Relative vapor density (g/mL, air=1): not determined
4. Melting point (º C): 207-211
5. Boiling point (º C, atmospheric pressure): 108-109
6. Boiling point (º C, 5.2kPa): undetermined
7. Refractive index: 1.549-1.552
8. Flash point (℃): 101
9. Specific rotation (º): not determined
10. Spontaneous combustion point or ignition temperature (º C): not determined
11. Vapor pressure (kPa, 25 º C): not determined
12. Saturated vapor pressure (kPa, 60 º C): not determined
13. Combustion heat (KJ/mol): undetermined
14. Critical temperature (º C): not determined
15. Critical pressure (KPa): undetermined
16. Logarithmic value of oil-water (octanol/water) partition coefficient: undetermined
17. Explosion upper limit (%, V/V): undetermined
18. Lower explosive limit (%, V/V): not determined
19. Solubility: Slightly soluble in water.
toxicology data
Currently unavailable
Ecological data
Usually not harmful to water, do not discharge materials into the surrounding environment without government permission
Molecular structure data
Molecular property data:
1. Molar refractive index: 35.72
2. Molar volume (cm3/mol): 109.2
3. Waiting for Zhang Biarong (90.2K): 283.7
4. Surface tension (dyne/cm): 45.5
5. Polarization rate (10-24cm3): 14.16
Calculate chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 1
3. Number of hydrogen bond acceptors: 2
4. Number of rotatable chemical bonds: 2
5. Number of tautomers: None
6. Topological molecular polarity surface area 48.5
7. Number of heavy atoms: 8
8. Surface charge: 0
9. Complexity: 65.5
10. Number of isotopic atoms: 0
11. Determine the number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 0
13. Determine the number of chemical bond stereocenters: 0
14. Number of uncertain chemical bond stereocenters: 0
15. Number of covalent bond units: 1
Nature and stability
Stable at room temperature and pressure, colorless or pale yellow clear liquid.
Storage method
Avoid light, store in a cool and dry place, and seal tightly
Second, the Synthetic Route we will recommend is the most important for your reference?
First, synthesis line of 2-Thiopheneethanol CAS NO. 5402-55-1 as follows
1.synthesis line：
Add 38.5g (1.58mol) of dry magnesium shavings, 100mL of anhydrous THP, and one pill of iodine to a reaction bottle equipped with a stirrer, thermometer, dropper funnel, and reflux condenser. Slowly drop in a solution composed of 250g (1.5mol) of 2-bromothiophene (2) and 1000mL of THF, first add about 40mL, and warm to initiate the reaction. After triggering, stir and add the remaining 2-bromothiophene solution dropwise, maintain the internal temperature at around 45 ℃, and complete the addition in about 4 hours. After adding, continue stirring and react for 2 hours. Cool to 5 ℃, slowly add a solution of 70.4 (1.6mol) of ethylene oxide dissolved in 200mL of THF and cooled to 5 ℃, add it for about 4 hours, and stir the reaction at room temperature for 6 hours. Cool to 5 ℃ in an ice water bath, add 200mL of saturated ammonium chloride solution dropwise, and then incubate at 35-40 ℃ for 0.5 hours. Pour out the upper layer solution, extract the viscous substance twice with THF, combine the THF solutions, wash with saturated sodium carbonate solution and saturated saline solution in sequence, and dry with anhydrous sodium sulfate. THF was evaporated under reduced pressure, followed by vacuum distillation. A fraction at 102 ℃/0.4~0.66kPa was collected to obtain 2-thiophene ethanol (1) with a yield of 70%~75%.
Third, what is the usage of 2-Thiopheneethanol CAS NO. 5402-55-1 ? pleas see below
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purpose
Used as an intermediate for the antithrombotic drug Ticlopidogrel
Other usages as below
Used for the synthesis of 2-Vinylthiophene Cas no. 1918-82-7
Used for the synthesis of [14C]-Rotigotine Cas no. 99755-59-6
Used for the synthesis of 2-TEDC
,Cas no. 132465-10-2
Besides Safety Information of 2-Thiopheneethanol CAS NO.5402-55-1 is also important when handling it
|
Hazard Codes |
Xi |
|
WGK Germany |
3 |
|
H．S．Code： |
2934 9990.99 |
|
TSCA |
Yes |
|
HazardClass |
IRRITANT |
What is the appearance of 2-Thiopheneethanol CAS NO.5402-55-1? Please see the picture of 2-Thiopheneethanol CAS NO.5402-55-1, below
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Specification of 2-Thiopheneethanol CAS NO.5402-55-1, is below
Apperance: Colourless to yellow to brown liquid.
Assay: 98 min by GC
IR identity: conform
Water:0.5% max by K.F.
C-NMR picture of 2-Thiopheneethanol CAS NO.5402-55-1 is as follows,
IR picture of 2-Thiopheneethanol CAS NO.5402-55-1 is as follows,
Reference of Article cited for your reference below,
（1）
PMID 1536875; DOI 10.1016/0005-2760(92)90017-p; Biochimica et biophysica acta 1992 Feb; 1123(3):347-50
Name matches: n-(2-hydroxyethyl)-phthalimide 2-(2-thienyl)-ethanol
（2）
EP-0016917-B1; Grant Date: 1983-06-22
