3-Aminotetrahydrothiophene 1,1-dioxide hydrochloride

Base Information

• Chemical Name: 3-Aminotetrahydrothiophene 1,1-dioxide hydrochloride
• CAS No.: 51642-03-6
• Molecular Formula: C4H10ClNO2S
• Molecular Weight: 171.648
• Hs Code.: 2934999090
• European Community (EC) Number: 695-206-6
• NSC Number: 119148
• DSSTox Substance ID: DTXSID90383576
• Mol file: 51642-03-6.mol

Synonyms:51642-03-6;3-Aminotetrahydrothiophene 1,1-dioxide hydrochloride;1,1-dioxidotetrahydrothien-3-ylamine hydrochloride;1,1-dioxothiolan-3-amine;hydrochloride;MFCD00456584;3-Thiophenamine, tetrahydro-, 1,1-dioxide, hydrochloride;1,1-DIOXIDOTETRAHYDROTHIEN-3-YLAMINE, HCL;3-AMinotetrahydrothiopene 1,1-dioxide hydrochloride;TETRAHYDRO-3-THIOPHENAMINE 1,1-DIOXIDE HYDROCHLORIDE;3-aminotetrahydro-1h-1lambda6-thiophene-1,1-dione hydrochloride;(1,1-dioxidotetrahydro-3-thienyl)amine hydrochloride;MFCD28952871;Tetrahydrothiophen-3-amine 1,1-dioxide hydrochloride;SCHEMBL1071510;DTXSID90383576;MGZQMSFXPSKBDY-UHFFFAOYSA-N;NSC119148;AKOS008030573;AM85058;CS-W005500;NSC-119148;SB10342;SB45131;SB45949;1,1-dioxidotetrahydrothien-3-ylamine HCl;DS-16409;SY031825;SY278585;Tetrahydro-3-thiophenamine 1,1-dioxide HCl;BB 0240546;FT-0678399;1,1-Dioxo-tetrahydrothiophen-3-ylamine, HCl;3-Thiophenamine,tetrahydro-,1,1-dioxide HCl;EN300-08033;3-amino-1??-thiolane-1,1-dione hydrochloride;3-AMINOTETRAHYDROTHIOPHENE 1,1-DIOXIDE HCL;3-Aminotetrahydrothiophene1,1-dioxidehydrochloride;A871216;3-amino-1lambda6-thiolane-1,1-dione hydrochloride;3-aminotetrahydrothiophene-S,S-dioxide hydrochloride;Tetrahydro-3-thiophenamin 1,1-dioxide hydrochloride;Z56998603;F0802-0039;F1974-0001;3-Amino-1lambda~6~-thiolane-1,1-dione--hydrogen chloride (1/1);1,1-Dioxo-tetrahydro-1lambda*6*-thiophen-3 -ylamine;compound with GENERIC INORGANIC NEUTRAL COMPONENT

Chemical Property of 3-Aminotetrahydrothiophene 1,1-dioxide hydrochloride

Chemical Property:

• Melting Point: 208 °C
• Boiling Point: 334.9 °C at 760 mmHg
• Flash Point: 156.3 °C
• PSA: 68.54000
• Density: 1.314g/cm³
• LogP: 1.71530
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 171.0120774
• Heavy Atom Count: 9
• Complexity: 167

Purity/Quality:

99% ^*data from raw suppliers

1,1-Dioxidotetrahydrothien-3-ylaminehydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CS(=O)(=O)CC1N.Cl
• Uses: 1,1-Dioxidotetrahydrothien-3-ylamine, HCl

Technology Process of 3-Aminotetrahydrothiophene 1,1-dioxide hydrochloride

There total 4 articles about 3-Aminotetrahydrothiophene 1,1-dioxide 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: 83.0%

methyl 1,1-dioxo-3-thiolanylcarbamate (24373-67-9) → tetrahydro-3-thiophenamine 1,1-dioxide hydrochloride (51642-03-6)

Guidance literature:

With hydrogenchloride; potassium hydroxide; In water; for 20h; Heating;

DOI:10.1007/BF00504106

Reference yield: 74.0%

3-Sulfolene (77-79-2) → tetrahydro-3-thiophenamine 1,1-dioxide hydrochloride (51642-03-6)

Guidance literature:

3-Sulfolene; With ammonia; water; at 80 ℃; for 4h;

With hydrogenchloride; In ethanol; water; for 0.5h;

Reference yield:

benzyl (1,1-dioxidotetrahydrothiophen-3-yl)carbamate → tetrahydro-3-thiophenamine 1,1-dioxide hydrochloride (51642-03-6)

Guidance literature:

benzyl (1,1-dioxidotetrahydrothiophen-3-yl)carbamate; With palladium 10% on activated carbon; hydrogen; In ethyl acetate; for 48h; under 760.051 Torr;

With hydrogenchloride; In methanol; for 0.166667h;

upstream raw materials:

methyl 1,1-dioxo-3-thiolanylcarbamate

3-Sulfolene

diethyl ether

Downstream raw materials:

3-[{1-[bis(4-chlorophenyl)methyl]azetidin-3-yl}(methylsulphonyl)amino]-N-(1,1-dioxidotetrahydrothiophen-3-yl)benzamide

2-chloro-N-(1,1-dioxy-tetrahydrothiophen-3-yl)-7-tosyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

Refernces

• 1、 -. "Kinase inhibitor compounds". Page/Page column 17. . Retrieved 2009/04/24.
• 2、 Parkhomenko, P. I.,Rybakova, M. V.,Bezmenova, T. E.,Zaika, T. D.. "HYDROLYSIS OF CARBAMATES AND CARBONATES OF 3-HYDROXYTHIOLANE 1,1-DIOXIDE". . p. 1122 - 1124. Retrieved 2007/10/02.