L-Cysteine ethyl ester hydrochloride supplier

Name
L-Cysteine ethyl ester hydrochloride
EINECS 212-779-6
CAS No. 868-59-7
Article Data6
CAS DataBase
Density 1.391 g/cm3
Solubility Soluble in water.
Melting Point 123-125 °C(lit.)
Formula C₅H₁₁NO₂S^.HCl
Boiling Point 205.9 °C at 760 mmHg
Molecular Weight 185.675
Flash Point 78.3 °C
Transport Information
Appearance white crystalline powder
Safety 24/25-36-26
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
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);
PSA 91.12000
LogP 1.30890

Synthetic route

: 64-17-5
ethanol

: 52-90-4
L-Cysteine

: 868-59-7
L-cysteine ethyl ester hydrochloride

Conditions

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;

: 52-90-4
L-Cysteine

: 868-59-7
L-cysteine ethyl ester hydrochloride

Conditions

Conditions	Yield
	80%

: 64-17-5
ethanol

l-cysteine hydrochloride: l-cysteine hydrochloride

: 868-59-7
L-cysteine ethyl ester hydrochloride

Conditions

Conditions	Yield
With hydrogenchloride

: 64-17-5
ethanol

: 52-89-1
l-cysteine hydrochloride

: 868-59-7
L-cysteine ethyl ester hydrochloride

Conditions

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

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

Conditions	Yield
With magnesium sulfate; potassium carbonate In toluene Ambient temperature;	100%

: 868-59-7
L-cysteine ethyl ester hydrochloride

: 78-98-8
2-oxopropanal

: 2-acetyl-4-ethoxycarbonylthiazolidine

Conditions

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

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

: C14H26BNO4S*C2HF3O2

Conditions

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%

...Expand

: 868-59-7
L-cysteine ethyl ester hydrochloride

: 3-hydroxy-1-(2,6,6-trimethylcyclohex-3-en-1-yl)but-2-en-1-one

: ethyl N-(4-oxo-4-(2,6,6-trimethylcyclohex-3-en-1-yl)but-2-en-2-yl)cysteinate

Conditions

Conditions	Yield
With acetic acid In toluene Reflux; Dean-Stark;	100%

: 887144-97-0
Togni's reagent

: 868-59-7
L-cysteine ethyl ester hydrochloride

: (R)-ethyl 2-amino-3-((trifluoromethyl)thio)propanoate hydrochloride

Conditions

Conditions	Yield
In methanol	99%
In methanol at -78 - 20℃; for 1h; Schlenk technique; Inert atmosphere;	97%

: 868-59-7
L-cysteine ethyl ester hydrochloride

: 5333-86-8
ethyl benzimidate hydrochloride

: 70454-09-0
Ethyl 5,5-dihydro-2-phenyl-2-thiazoline-4-carboxylate

Conditions

Conditions	Yield
With triethylamine In methanol at 20℃;	99%

: 1121-60-4
pyridine-2-carbaldehyde

: 868-59-7
L-cysteine ethyl ester hydrochloride

: 189228-41-9
(R,S)-ethyl-2-(pyridin-2-yl-)thiazolidine-4-(R)-carboxylate

Conditions

Conditions	Yield
With potassium hydrogencarbonate In methanol; water at 20℃; Inert atmosphere;	99%
With potassium hydrogencarbonate In methanol; water

: 868-59-7
L-cysteine ethyl ester hydrochloride

: 99163-12-9
4-(pyridin-4-yl)benzaldehyde

: 1263098-05-0
(R,S)-ethyl-2-(4-(pyridin-4-yl)-phenyl)-thiazolidine-4-(R)-carboxylate

Conditions

Conditions	Yield
With potassium hydrogencarbonate In methanol; water at 20℃; Inert atmosphere;	99%
With potassium hydrogencarbonate In methanol; water

: 868-59-7
L-cysteine ethyl ester hydrochloride

: 583-89-1
L-cystine diethyl ester

Conditions

Conditions	Yield
With bromopentacarbonylmanganese(I); oxygen In water-d2; tert-butyl alcohol at 20℃; for 5h; UV-irradiation; chemoselective reaction;	99%
In dimethyl sulfoxide at 30℃; for 5h; Kinetics; Thermodynamic data; Solvent; Temperature;

: 868-59-7
L-cysteine ethyl ester hydrochloride

: 100-52-7
benzaldehyde

: 2-phenylthiazolidine-4-carboxylic acid ethyl ester

Conditions

Conditions	Yield
With tert.-butylhydroperoxide; iodine; potassium carbonate In 1,4-dioxane at 70℃; for 1.5h; Schlenk technique; Inert atmosphere;	99%

: 2208-07-3
ethyl acetimidate hydrochloride

: 868-59-7
L-cysteine ethyl ester hydrochloride

: 89530-18-7
ethyl 2-methyl-2-thiazoline-(4R)-carboxylate

Conditions

Conditions	Yield
With triethylamine In dichloromethane at 20℃;	98%
With triethylamine In dichloromethane at 0℃; Condensation;	85%

: 868-59-7
L-cysteine ethyl ester hydrochloride

: 161529-19-7
(2S)-2-[N-(tert-butoxycarbonyl)amino]-1-iodo-4-methylpentane

: 876297-28-8
ethyl (2R)-2-amino-3-{(2'S)-2'-[(tert-butoxycarbonyl)amino]-4'-methylpentylthio}propanoate

Conditions

Conditions	Yield
With caesium carbonate In N,N-dimethyl-formamide at 20℃; for 3h;	98%

: 24424-99-5
di-tert-butyl dicarbonate

: 868-59-7
L-cysteine ethyl ester hydrochloride

: 118143-52-5
N-Boc-L-cysteine ethyl ester

Conditions

Conditions	Yield
With triethylamine In tetrahydrofuran at 0 - 20℃; for 2h;	98%
Stage #1: L-cysteine ethyl ester hydrochloride With sodium hydrogencarbonate In dichloromethane at -5℃; for 0.166667h; Stage #2: di-tert-butyl dicarbonate In dichloromethane at -5 - 20℃;	98%
With triethylamine In tetrahydrofuran
With triethylamine In tetrahydrofuran at 0 - 20℃;

: 1002347-44-5
ethyl (R)-2-(tert-butoxycarbonylamino)-3-[(5,5-dimethyl-2-thioxo-1,3,2-dioxaphosphorinan-2-yl)disulfanyl]propanoate

: 868-59-7
L-cysteine ethyl ester hydrochloride

: ethyl (R)-2-amino-3-{[(R)-2-(tert-butoxycarbonylamino)-2-(ethoxycarbonyl)ethyl]disulfanyl}propanoate

Conditions

Conditions	Yield
With triethylamine In dichloromethane at 20℃; for 0.25h;	98%

: 868-59-7
L-cysteine ethyl ester hydrochloride

: 501-53-1
benzyl chloroformate

: 95084-26-7
N-(benzyloxycarbonyl)-L-cysteine ethyl ester

Conditions

Conditions	Yield
Stage #1: L-cysteine ethyl ester hydrochloride With sodium hydrogencarbonate In dichloromethane at -5℃; for 0.166667h; Stage #2: benzyl chloroformate In dichloromethane at -5 - 20℃;	98%

: 6287-86-1
p-ethoxycarbonylbenzaldehyde

: 868-59-7
L-cysteine ethyl ester hydrochloride

: 1263098-07-2
(R,S)-ethyl-2-[4-(methoxycarbonyl)phenyl]-thiazolidine-4-(R)-carboxylate

Conditions

Conditions	Yield
With potassium hydrogencarbonate In methanol; water at 20℃; Inert atmosphere;	98%
With potassium hydrogencarbonate In methanol; water

: 868-59-7
L-cysteine ethyl ester hydrochloride

: 154669-56-4
(2S)-2-[N-(tert-butoxycarbonyl)amino]-1-iodo-3-phenylpropane

: 876297-27-7
ethyl (2R)-2-amino-3-{(2'S)-2'-[(tert-butyloxycarbonyl)amino]-3'-phenylpropylthio}propanoate

Conditions

Conditions	Yield
With caesium carbonate In N,N-dimethyl-formamide at 20℃; for 3h;	97%

: 1002347-32-1
11-[(5,5-dimethyl-2-thioxo-1,3,2-dioxaphosphorinan-2-yl)disulfanyl]undecanoic acid

: 868-59-7
L-cysteine ethyl ester hydrochloride

: 1002348-03-9
ethyl (R)-2-amino-3-[(10-carboxydecyl)disulfanyl]propanoate hydrochloride

Conditions

Conditions	Yield
With triethylamine In dichloromethane at 20℃; for 0.25h;	97%

: 868-59-7
L-cysteine ethyl ester hydrochloride

: 338945-22-5
(S)-2-iodomethyl-pyrrolidine-1-carboxylic acid tert-butyl ester

: 876297-29-9
ethyl (2R)-2-amino-3-{[(2'S)-1-(tert-butoxycarbonyl)pyrrolidin-2'-yl]methylthio}propanoate

Conditions

Conditions	Yield
With caesium carbonate In N,N-dimethyl-formamide at 20℃; for 3h;	96%

: 868-59-7
L-cysteine ethyl ester hydrochloride

: 10191-60-3
dimethyl N-cyanodithioiminocarbonate

: 258822-90-1
(R)-2-[(Z)-Cyanoimino]-thiazolidine-4-carboxylic acid ethyl ester

Conditions

Conditions	Yield
With triethylamine In ethanol Cyclization;	95%

: 868-59-7
L-cysteine ethyl ester hydrochloride

: 5333-86-8
ethyl benzimidate hydrochloride

: 89530-19-8
(4R)-ethyl 2-phenyl-4,5-dihydrothiazole-4-carboxylate

Conditions

Conditions	Yield
With triethylamine In methanol at 20℃; for 0.18h; Inert atmosphere;	95%
With triethylamine In ethanol for 2h; Heating;	87%

: 868-59-7
L-cysteine ethyl ester hydrochloride

: 106-51-4
p-benzoquinone

: 389135-53-9
ethyl (R)-2-amino-3-(2,5-dihydroxyphenylsulfanyl)propanoate hydrochloride

Conditions

Conditions	Yield
In methanol at 20℃; for 1h; Inert atmosphere;	95%
In methanol; water at 20℃; for 1h;

: 868-59-7
L-cysteine ethyl ester hydrochloride

: 41308-76-3
allyl α-D-mannopyranoside

: 1259301-27-3
S-[3-(α-D-mannopyranosyloxy)propyl]-L-cysteine ethyl ester

Conditions

Conditions	Yield
With 2,2'-azobis(isobutyronitrile) In 1,4-dioxane at 65℃; for 4h; Inert atmosphere; chemoselective reaction;	95%

: 868-59-7
L-cysteine ethyl ester hydrochloride

: 1-[(triisopropylsilyl)ethynyl]-1,2-benziodoxol-3(1H)-one

: 1443746-67-5
(R)-ethyl 2-amino-3-(((triisopropylsilyl)ethynyl)thio)propanoate

Conditions

Conditions	Yield
Stage #1: L-cysteine ethyl ester hydrochloride With N,N,N',N'-tetramethylguanidine In tetrahydrofuran; water at 20℃; for 0.0833333h; Stage #2: 1-[(triisopropylsilyl)ethynyl]-1,2-benziodoxol-3(1H)-one In tetrahydrofuran; water at 20℃; for 0.0833333h; chemoselective reaction;	95%

: 1610426-90-8
C33H32N4O8

: 868-59-7
L-cysteine ethyl ester hydrochloride

: 1610426-81-7
C43H50N6O10S2

Conditions

Conditions	Yield
With chloroformic acid ethyl ester; triethylamine In dichloromethane at 0℃; for 0.25h;	95%

: 868-59-7
L-cysteine ethyl ester hydrochloride

: 591-31-1
3-methoxy-benzaldehyde

: 115299-08-6
ethyl 2-(3-methoxyphenyl)thiazole-4-carboxylate

Conditions

Conditions	Yield
With tert.-butylhydroperoxide; iodine; potassium carbonate In 1,4-dioxane at 70℃; for 12h; Schlenk technique; Molecular sieve; Inert atmosphere;	95%

: 359865-01-3
1-(2,6,6-trimethyl-3-cyclo-hexen-1-yl)-2-buten-1-one

: 868-59-7
L-cysteine ethyl ester hydrochloride

: ethyl S-(4-oxo-4-(2’.6’.6’-trimethylcyclohex-3’-en-1’-yl)butan-2-yl)-L-cysteinate

Conditions

Conditions	Yield
With potassium carbonate In water at 20℃;	95%

L-Cysteine ethyl ester hydrochloride Consensus Reports

Reported in EPA TSCA Inventory.

L-Cysteine ethyl ester hydrochloride 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 20^oC. 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 SO_x, NO_x, 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.

Product Name

L-Cysteine ethyl ester hydrochloride

Synthetic route

L-Cysteine ethyl ester hydrochloride Consensus Reports

L-Cysteine ethyl ester hydrochloride Specification

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