S-(2-aminoethyl) ethanethioate hydrochloride

Base Information

• Chemical Name: S-(2-aminoethyl) ethanethioate hydrochloride
• CAS No.: 17612-91-8
• Molecular Formula: C4H10ClNOS
• Molecular Weight: 155.649
• Hs Code.: 2930909090
• European Community (EC) Number: 839-879-8
• DSSTox Substance ID: DTXSID30938761
• ChEMBL ID: CHEMBL540544
• Mol file: 17612-91-8.mol

Synonyms:17612-91-8;S-(2-aminoethyl) ethanethioate hydrochloride;Thioacetic acid S-(2-amino-ethyl) ester hydrochloride;2-Aminoethyl thiolacetate hydrochloride;S-Acetylcysteamine hydrochloride;1-[(2-aminoethyl)sulfanyl]ethan-1-one hydrochloride;C4H9NOS.ClH;C4-H9-N-O-S.Cl-H;CHEMBL540544;SCHEMBL5967571;DTXSID30938761;Ethanethioic acid, S-(2-aminoethyl) ester, hydrochloride;AKOS015848220;S-(2-aminoethyl)ethanethioatehydrochloride;CS-0256575;FT-0677227;S-(2-aminoethyl) ethanethioate;hydrochloride;EN300-6497870;J-011166;Thioacetic acid s-(2-amino-ethyl)ester hydrochloride;S-(2-Aminoethyl) ethanethioate--hydrogen chloride (1/1)

Chemical Property of S-(2-aminoethyl) ethanethioate hydrochloride

Chemical Property:

• Vapor Pressure: 0.723mmHg at 25°C
• Boiling Point: 184.7°C at 760 mmHg
• Flash Point: 65.5°C
• PSA: 68.39000
• LogP: 1.72710
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 155.0171628
• Heavy Atom Count: 8
• Complexity: 64.7

Purity/Quality:

98%min ^*data from raw suppliers

ThioaceticAcidS-(2-Aminoethyl)EsterHydrochloride ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)SCCN.Cl
• Uses: Thioacetic Acid S-(2-Aminoethyl) Ester Hydrochloride could be useful reagent in the preparation of psammaplin A analogs, which are potent histone deacetylase inhibitors.

Technology Process of S-(2-aminoethyl) ethanethioate hydrochloride

There total 3 articles about S-(2-aminoethyl) ethanethioate 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: 99.0%

acetyl chloride (75-36-5) + Cysteamine (60-23-1) → 1-[(2-aminoethyl)sulfanyl]ethan-1-one hydrochloride (17612-91-8)

Guidance literature:

With trifluoroacetic acid; at 0 - 20 ℃; for 2h;

Reference yield: 96.4%

2-mercaptoethylamine hydrochloride (156-57-0) + acetyl chloride (75-36-5) → 1-[(2-aminoethyl)sulfanyl]ethan-1-one hydrochloride (17612-91-8)

Guidance literature:

In dichloromethane; for 4.5h; Temperature; Reflux;

Reference yield: 96.0%

N-(tert-butoxycarbonyl)-2-(acetylthio)ethylamine (114326-10-2) → 1-[(2-aminoethyl)sulfanyl]ethan-1-one hydrochloride (17612-91-8)

Guidance literature:

With hydrogenchloride; In 1,4-dioxane; at 25 ℃; for 3h;

DOI:10.1021/ol015931+

upstream raw materials:

2-mercaptoethylamine hydrochloride

acetyl chloride

N-(tert-butoxycarbonyl)-2-(acetylthio)ethylamine

Cysteamine

Downstream raw materials:

(E)-(S)-2-(3-(3-bromo-4-methoxyphenyl)-2-(hydroxyimino)propanamido)ethyl ethanethioate

(S)-2-(3-(3-bromo-4-methoxyphenyl)-2-oxopropanamido)ethyl ethanethioate

N-methylmorpholine hydrochloride

N-(N-acetyl-S-trityl-L-cysteinyl)-S-acetylcysteamine

Refernces

• 1、 -. "PANTETHEINE DERIVATIVES FOR THE TREATMENT OF NEUROLOGIC DISORDERS". Page/Page column 44. . Retrieved 2018/02/28.
• 2、 Lion, Claude,Boukou-Poba, Jean-Paul,Charvy, Claude. "SYNTHESE DANS LA SERIE DES PHENANTHRIDINES. IV. PREPARATION DE NOUVEAUX RADIOPROTECTEURS A MOTIF PHENANTHRIDINE". . p. 169 - 174. Retrieved 2007/10/02.