(S)-3-Aminodihydrothiophen-2(3H)-one hydrochloride

Base Information

• Chemical Name: (S)-3-Aminodihydrothiophen-2(3H)-one hydrochloride
• CAS No.: 31828-68-9
• Molecular Formula: C4H7NOS.ClH
• Molecular Weight: 153.633
• Hs Code.: 2934999090
• European Community (EC) Number: 250-824-1
• UNII: 2HTL9Q12FE
• DSSTox Substance ID: DTXSID60953745
• Wikidata: Q27254763
• Mol file: 31828-68-9.mol

Synonyms:31828-68-9;L-Homocysteine thiolactone hydrochloride;(S)-3-Aminodihydrothiophen-2(3H)-one hydrochloride;(S)-3-Aminodihydrothiophen-2(3H)-one HCl;Homocysteine thiolactone hydrochloride, L-;UNII-2HTL9Q12FE;2HTL9Q12FE;(3S)-3-aminothiolan-2-one;hydrochloride;L-Homocysteine thiolactone (hydrochloride);L-homocysteine thiolactone HCl;EINECS 250-824-1;L-2-Amino-4-mercaptobutyric acid 1,4-thiolactone hydrochloride;C4-H7-N-O-S.Cl-H;SCHEMBL185765;DTXSID60953745;ZSEGSUBKDDEALH-DFWYDOINSA-N;AKOS015950984;CS-6394;HY-101404A;AS-49937;PD103002;O10218;3-Aminothiolan-2-one--hydrogen chloride (1/1);A919235;HOMOCYSTEINE THIOLACTONE HYDROCHLORIDE, (+)-;Q27254763;L-Homocysteine thiolactone hydrochloride, >=98% (TLC);Z5069354967;HOMOCYSTEINE L-FORM THIOLACTONE HYDROCHLORIDE [MI];L-Homocysteine thiolactone hydrochloride, >=99.0% (TLC);2(3H)-THIOPHENONE, 3-AMINODIHYDRO-, HYDROCHLORIDE (1:1), (3S)-

Chemical Property of (S)-3-Aminodihydrothiophen-2(3H)-one hydrochloride

Chemical Property:

• Vapor Pressure: 0.0179mmHg at 25°C
• Melting Point: 185-191 °C
• Boiling Point: 253.8 °C at 760 mmHg
• Flash Point: 107.3 °C
• PSA: 68.39000
• LogP: 1.47950
• Storage Temp.: 2-8°C
• Solubility.: Aqueous Acid (Slightly), DMSO (Slightly), Water (Slightly)
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 153.0015127
• Heavy Atom Count: 8
• Complexity: 93.7

Purity/Quality:

98%,99%, ^*data from raw suppliers

L-Homocysteine thiolactone hydrochloride ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1CSC(=O)C1N.Cl
• Isomeric SMILES: C1CSC(=O)[C@H]1N.Cl
• Uses: L-Homocysteine Thiolactone Hydrochloride is used to prepare substituted homocysteine analogs as inhibitors of peptidylglycine α-amidating monooxygenase. It is also used to synthesize (mercaptoacyl)alanylprolines as metalloprotease inhibitors.

Technology Process of (S)-3-Aminodihydrothiophen-2(3H)-one hydrochloride

There total 4 articles about (S)-3-Aminodihydrothiophen-2(3H)-one hydrochloride which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

S-HCT madelate (1051970-96-7) → L-homocysteine thiolactone hydrochloride (31828-68-9)

Guidance literature:

With hydrogenchloride; In water; acetone; at 15 ℃; for 1h; Product distribution / selectivity;

Reference yield:

S-HCT ditoluoyltartrate (1051970-97-8) → L-homocysteine thiolactone hydrochloride (31828-68-9)

Guidance literature:

With hydrogenchloride; In water; acetone; at 15 ℃; for 1h; Product distribution / selectivity;

Reference yield:

3-aminodihydrothiophen-2(3H)-one hydrochloride (6038-19-3) → D-homocysteine thiolactone hydrochloride (1120-77-0) + L-homocysteine thiolactone hydrochloride (31828-68-9)

Guidance literature:

With chiral stationary phase including isopropyl-functionalized CF₆; In ethanol; n-heptane; trifluoroacetic acid; at 20 ℃; Purification / work up; Resolution of racemate;

upstream raw materials:

S-HCT madelate

S-HCT ditoluoyltartrate

3-aminodihydrothiophen-2(3H)-one hydrochloride

Downstream raw materials:

3-aminodihydrothiophen-2(3H)-one hydrochloride

L-cystathionine

(S)-4-((3-((6-amino-9H-purin-9-yl)methyl)phenyl)methylthio)-2-aminobutanoic acid

(S)-2-amino-4-((((2S,3S,4R,5S)-5-(6-(benzylamino)-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl)thio)butanoic acid

Refernces

• 1、 -. "Process for the resolution of homocysteine-thiolactone". Page/Page column 5. . Retrieved 2008/12/08.