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| CAS No.: | 868-59-7 |
|---|---|
| Name: | L-Cysteine ethyl ester hydrochloride |
| Article Data: | 6 |
| Molecular Structure: | |
|
|
|
| Formula: | C5H11NO2S.HCl |
| Molecular Weight: | 185.675 |
| Synonyms: | Cysteine,ethyl ester, hydrochloride, L- (6CI,7CI,8CI);L-Cysteine, ethyl ester, hydrochloride(9CI);Cystanin;Ethyl cysteinatehydrochloride;NSC 117387;NSC 519837;H-Cys-OEt.HCl;H-Cys-OEt·HCl;L-Cysteine,ethyl ester, hydrochloride (1:1); |
| EINECS: | 212-779-6 |
| Density: | 1.391 g/cm3 |
| Melting Point: | 123-125 °C(lit.) |
| Boiling Point: | 205.9 °C at 760 mmHg |
| Flash Point: | 78.3 °C |
| Solubility: | Soluble in water. |
| Appearance: | white crystalline powder |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 24/25-36-26 |
| PSA: | 91.12000 |
| LogP: | 1.30890 |
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| Conditions | Yield |
|---|---|
| With thionyl chloride for 15h; Cooling with ice; Reflux; | 98.1% |
| With hydrogenchloride for 8h; Ambient temperature; | |
| With thionyl chloride for 12h; Cooling with ice; Reflux; |
| Conditions | Yield |
|---|---|
| 80% |
| Conditions | Yield |
|---|---|
| With hydrogenchloride |
| Conditions | Yield |
|---|---|
| With hydrogenchloride at 40 - 50℃; for 8h; |
- 70-23-5
ethyl Bromopyruvate
- 868-59-7
L-cysteine ethyl ester hydrochloride
- 94110-58-4
diethyl (R)-3,4-dihydro-2H-1,4-thiazine-3,5-dicarboxylate
| Conditions | Yield |
|---|---|
| With triethylamine In dichloromethane | 100% |
- 6026-86-4
methyl 4-formylbutanoate
- 868-59-7
L-cysteine ethyl ester hydrochloride
- 226888-62-6
(R)-2-(3-Methoxycarbonyl-propyl)-thiazolidine-4-carboxylic acid ethyl ester
| Conditions | Yield |
|---|---|
| With magnesium sulfate; potassium carbonate In toluene Ambient temperature; | 100% |
| Conditions | Yield |
|---|---|
| With sodium hydrogencarbonate In ethanol; water at 20℃; for 12h; | 100% |
| With sodium hydrogencarbonate In ethanol; water at 20℃; for 18h; Inert atmosphere; | |
| With sodium hydrogencarbonate In ethanol; water | |
| With sodium hydrogencarbonate In ethanol; water at 20℃; for 18h; |
- 3018-12-0
dichloroacetonitrile
- 868-59-7
L-cysteine ethyl ester hydrochloride
- 842130-48-7
ethyl 2-(chloromethyl)thiazole-4-carboxylate
| Conditions | Yield |
|---|---|
| Stage #1: dichloroacetonitrile With sodium methylate In methanol; dichloromethane at 0℃; for 1h; Inert atmosphere; Stage #2: L-cysteine ethyl ester hydrochloride In methanol; dichloromethane at 25℃; for 12h; Inert atmosphere; Stage #3: With N-ethyl-N,N-diisopropylamine In dichloromethane at 25 - 50℃; for 17h; Inert atmosphere; | 100% |
- 76-09-5
2,3-dimethyl-2,3-butane diol
- 215951-86-3
(3-chloroprop-1-en-1-yl)boronic acid
- 868-59-7
L-cysteine ethyl ester hydrochloride
- 76-05-1
trifluoroacetic acid
| Conditions | Yield |
|---|---|
| Stage #1: 2,3-dimethyl-2,3-butane diol; (3-chloroprop-1-en-1-yl)boronic acid; L-cysteine ethyl ester hydrochloride With caesium carbonate; sodium iodide In N,N-dimethyl-formamide at 20℃; for 4h; Stage #2: trifluoroacetic acid In acetonitrile | 100% |
- 868-59-7
L-cysteine ethyl ester hydrochloride
| Conditions | Yield |
|---|---|
| With acetic acid In toluene Reflux; Dean-Stark; | 100% |
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Consensus Reports
Specification
1. Introduction of L-Cysteine ethyl ester hydrochloride
L-Cysteine ethyl ester hydrochloride, with the IUPAC name of ethyl 2-amino-3-sulfanylpropanoate hydrochloride, is one kind of white crystalline powder. This should be kept in the storage temp. of 20oC. This chemical belongs to the Product Categories which include Amino Acids Derivatives; Cysteine [Cys, C]; Amino Acids and Derivatives; Amino Acid Ethyl Esters; Amino Acids; Amino Acids (C-Protected); Biochemistry; Amino hydrochloride; Amino Acid Derivatives; Cysteine/Cystine; Peptide Synthesis.
Handling and Storage:
Storage:Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
Handling:Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.
2. Properties of L-Cysteine ethyl ester hydrochloride
L-Cysteine ethyl ester hydrochloride has the following datas: (1)Melting Point:123-125 oC(lit.); (2)alpha:-13o(c=8, 1 N HCL) ; (3)Boiling Point:205.9oC at 760 mmHg; (4)Flash Point:78.3oC; (5)Refractive index:-11.5o(C=8, 1mol/L HCl) ; (6)Mol File:868-59-7.mol.
3. Structure Descriptors of L-Cysteine ethyl ester hydrochloride
You could convert the following datas into the molecular structure:
InChI: InChI=1S/C5H11NO2S.ClH/c1-2-8-5(7)4(6)3-9;/h4,9H,2-3,6H2,1H3;1H/t4-;/m0./s1
InChIKey: InChIKey=JFKJWWJOCJHMGV-WCCKRBBISA-N
Smiles: C([C@H](CS)[NH3+])(OCC)=O.[ClH-]
4. Toxicity of L-Cysteine ethyl ester hydrochloride
| 1. | orl-rat LD50:5 g/kg | NIIRDN “Drugs in Japan. Ethical Drugs, 6th Edition 1982” Edited by Japan Pharmaceutical Information Center. 6 (1982),113. | ||
| 2. | scu-rat LD50:2120 mg/kg | NIIRDN “Drugs in Japan. Ethical Drugs, 6th Edition 1982” Edited by Japan Pharmaceutical Information Center. 6 (1982),113. | ||
| 3. | ivn-rat LD50:725 mg/kg | NIIRDN “Drugs in Japan. Ethical Drugs, 6th Edition 1982” Edited by Japan Pharmaceutical Information Center. 6 (1982),113. | ||
| 4. | orl-mus LD50:3470 mg/kg | NIIRDN “Drugs in Japan. Ethical Drugs, 6th Edition 1982” Edited by Japan Pharmaceutical Information Center. 6 (1982),113. | ||
| 5. | ipr-mus LD50:854 mg/kg | CPBTAL Chemical and Pharmaceutical Bulletin. 20 (1972),721. | ||
| 6. | scu-mus LD50:1550 mg/kg | NIIRDN “Drugs in Japan. Ethical Drugs, 6th Edition 1982” Edited by Japan Pharmaceutical Information Center. 6 (1982),113. | ||
| 7. | ivn-mus LD50:688 mg/kg | NIIRDN “Drugs in Japan. Ethical Drugs, 6th Edition 1982” Edited by Japan Pharmaceutical Information Center. 6 (1982),113. |
5. Safety Information of L-Cysteine ethyl ester hydrochloride
Moderately toxic by ingestion, intraperitoneal, intravenous, and subcutaneous routes. When heated to decomposition it emits toxic fumes of SOx, NOx, and HCl. See also l-CYSTEINE and ESTERS.
Safty informations about ETHYL CYSTEINE HYDROCHLORIDE(868-59-7):
Hazard Codes:Xi
Risk Statements:36/37/38
36/37/38(Irritating to eyes, respiratory system and skin)
Safety Statements:24/25-36-26
24/25(Avoid contact with skin and eyes)
36(Wear suitable protective clothing)
26(In case of contact with eyes, rinse immediately with plenty of water and seek medical advice)
WGK Germany:2
RTECS:HA1820000
6. Use and Preparation of L-Cysteine ethyl ester hydrochloride
L-Cysteine ethyl ester hydrochloride is a mucolytic that has been used in the treatment of disorders of the respiratory tract associated with productive cough.It is also used as a pharmaceutical Intermediate.