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| CAS No.: | 504-78-9 |
|---|---|
| Name: | Thiazolidine |
| Article Data: | 30 |
| Molecular Structure: | |
|
|
|
| Formula: | C3H7NS |
| Molecular Weight: | 89.1613 |
| Synonyms: | Thiazolidine |
| EINECS: | 208-002-5 |
| Density: | 1.058 g/cm3 |
| Boiling Point: | 164.5 °C at 760 mmHg |
| Flash Point: | 56.1 °C |
| Appearance: | clear colorless liquid |
| Hazard Symbols: |
 C
|
| Risk Codes: | 34 |
| Safety: | 45-36/37/39-26 |
| Transport Information: | UN 1993 3/PG 3 |
| PSA: | 37.33000 |
| LogP: | 0.60910 |
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| Conditions | Yield |
|---|---|
| With phosphate buffer In water at 25℃; for 0.5h; |
| Conditions | Yield |
|---|---|
| With phosphate buffer at 25℃; for 0.5h; Mechanism; var. buffer systems; var. aldehydes; also in the presence of ethanol; |
- 504-78-9
1,3-thiazolidine
- 24424-99-5
di-tert-butyl dicarbonate
- 148312-55-4
tert-butyl thiazolidine-3-carboxylate
| Conditions | Yield |
|---|---|
| In tetrahydrofuran; water at 20℃; for 20h; | 100% |
| In tetrahydrofuran; water at 20℃; for 20h; Schlenk technique; | 99% |
| With dmap In acetonitrile for 3h; Ambient temperature; | 89% |
| In 1,4-dioxane; water | 86.2% |
| Conditions | Yield |
|---|---|
| With potassium carbonate In water; N,N-dimethyl-formamide a) -5 deg C, 2 h, b) RT, 20 h; | 97% |
| With potassium carbonate In hexane; ethyl acetate; N,N-dimethyl-formamide | 97.2% |
- 504-78-9
1,3-thiazolidine
- 841302-34-9
(S)-[1-(3-hydroxyadamantan-1-yl)-2-oxo-2-pyrrolidin-1-ylethyl]-carbamic acid tert-butyl ester
- 841302-35-0
(S)-[1-(3-hydroxyadamantan-1-yl)-2-oxo-2-thiazolidin-3-ylethyl]-carbamic acid tert-butyl ester
| Conditions | Yield |
|---|---|
| With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine In DMF (N,N-dimethyl-formamide) at 0℃; for 22h; | 95.7% |
| Conditions | Yield |
|---|---|
| In dichloromethane at 0℃; for 0.75h; | 95% |
- 504-78-9
1,3-thiazolidine
- 143815-60-5
2-chloro-5-cyano-6-ethoxy-4-phenylpyridine-3-carboxaldehyde
- 143815-68-3
2-Ethoxy-5-formyl-4-phenyl-6-thiazolidin-3-yl-nicotinonitrile
| Conditions | Yield |
|---|---|
| With triethylamine In tetrahydrofuran for 0.166667h; Heating; | 93% |
| Conditions | Yield |
|---|---|
| Stage #1: 1,3-thiazolidine; N-Boc pyroglutamic acid-Wang resin In tetrahydrofuran Addition; Stage #2: trifluoroacetic acid In water for 2.5h; Hydrolysis; | 93% |
- 504-78-9
1,3-thiazolidine
- 336870-02-1
(S)-tert-butoxycarbonylamino-(trans-4-hydroxy-cyclohexyl)-acetic acid
| Conditions | Yield |
|---|---|
| Stage #1: (S)-tert-butoxycarbonylamino-(trans-4-hydroxy-cyclohexyl)-acetic acid With 4-methyl-morpholine; 2-chloro-4,6-dimethoxy-1 ,3,5-triazine In Isopropyl acetate at 0℃; for 2h; Stage #2: 1,3-thiazolidine In Isopropyl acetate at 0 - 20℃; for 18h; | 93% |
| With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In tetrahydrofuran at 20℃; for 12h; |
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Specification
The Thiazolidine, with the CAS registry number 504-78-9 and EINECS registry number 208-002-5, has the systematic name and IUPAC name of 1,3-thiazolidine. It is a kind of clear colorless liquid, and belongs to the following product categories: Heterocyclic Compounds; Building Blocks; Heterocyclic Building Blocks; Thiazolines/Thiazolidines. And the molecular formula of the chemical is C3H7NS.
The characteristics of Thiazolidine are as followings: (1)ACD/LogP: -0.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.03; (4)ACD/LogD (pH 7.4): -1.57; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 28.54 Å2; (13)Index of Refraction: 1.513; (14)Molar Refractivity: 25.34 cm3; (15)Molar Volume: 84.2 cm3; (16)Polarizability: 10.04×10-24cm3; (17)Surface Tension: 37.5 dyne/cm; (18)Density: 1.058 g/cm3; (19)Flash Point: 56.1 °C; (20)Enthalpy of Vaporization: 40.1 kJ/mol; (21)Boiling Point: 164.5 °C at 760 mmHg; (22)Vapour Pressure: 1.96 mmHg at 25°C.
It may be synthesized by a condensation reaction between a thiol and an aldehyde or ketone. The reaction is reversible. Therefore,many thiazolidines are labile towards hydrolysis in aqueous solution. Hydrolysis of the thiazolidine generates the thiol and aldehyde or ketone from which it was synthesized.
Uses of Thiazolidine: It can react with 4-cyano-benzenediazonium; tetrafluoroborate to produce 3-(p-cyanophenylazo)-1,3-thiazolidine. This reaction will need the menstruum acetone and H2O. The reaction time is 0.5 hours with temperature of 0°C, and the yield is about 37%.
You should be cautious while dealing with this chemical. It may cause burns. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice; In case of accident or if you feel unwell, seek medical advice immediately (show label where possible).
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: S1CCNC1
(2)InChI: InChI=1/C3H7NS/c1-2-5-3-4-1/h4H,1-3H2
(3)InChIKey: OGYGFUAIIOPWQD-UHFFFAOYAA
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 800mg/kg (800mg/kg) | Farmaco, Edizione Scientifica. Vol. 36, Pg. 740, 1981. |