3-Thiophenamine, tetrahydro-, 1,1-dioxide

Base Information

• Chemical Name: 3-Thiophenamine, tetrahydro-, 1,1-dioxide
• CAS No.: 6338-70-1
• Deprecated CAS: 120082-81-7
• Molecular Formula: C4H9 N O2 S
• Molecular Weight: 135.187
• Hs Code.: 2934999090
• European Community (EC) Number: 228-730-7
• NSC Number: 40793
• DSSTox Substance ID: DTXSID60884262
• Nikkaji Number: J206.942C
• Mol file: 6338-70-1.mol

Synonyms:6338-70-1;1,1-dioxidotetrahydrothien-3-ylamine;3-Aminosulfolane;3-THIOPHENAMINE, TETRAHYDRO-, 1,1-DIOXIDE;3-Aminotetrahydrothiophene 1,1-dioxide;1,1-dioxothiolan-3-amine;3-Sulfolanylamine;N-3-Sulfolanylamine;Tetrahydro-3-thiophenamine 1,1-dioxide;Tetrahydrothiophen-3-amine 1,1-dioxide;(1,1-Dioxidotetrahydro-3-thienyl)amine;EINECS 228-730-7;NSC 40793;BRN 3933935;3-Aminotetrahydrothiophene1,1-dioxide;3-amino-1lambda6-thiolane-1,1-dione;5-18-09-00474 (Beilstein Handbook Reference);NSC40793;Oprea1_545192;3-Aminothiolane 1,1-dioxide;SCHEMBL286216;DTXSID60884262;BBL012872;MFCD00022545;NSC-40793;STK395034;1,1-dioxidotetrahydro-3-thienylamine;3-amino-1,1-dioxotetrahydrothiophene;1,1-dioxido-tetrahydrothien-3-ylamine;AKOS000200647;AKOS016039480;tetrahydro-1,1-dioxido-3-thienylamine;PB12042;1,1-dioxidotetrahydrothiophen-3-ylamine;(1,1-dioxotetrahydrothiophen-3-yl)amine;1,1-dioxo-tetrahydro-thiophen-3-ylamine;3-Thiophenamine,tetrahydro-,1,1-dioxide;tetrahydrothiophene-3-amine 1,1-dioxide;BS-12820;LS-152849;BB 0237347;CS-0040471;FT-0636102;EN300-33887;P10035;(+/-) 3-amino-tetrahydrothiophene 1,1-dioxide;1,1-dioxotetrahydro-1lambda6-thiophen-3-ylamine;A917581;F1294-0035;Tetrahydro-3-thiophenamine 1,1-dioxide, technical grade;1,1-DIOXO-TETRAHYDRO-1LAMBDA6-THIOPHEN-3-YLAMINE

Chemical Property of 3-Thiophenamine, tetrahydro-, 1,1-dioxide

Chemical Property:

• Vapor Pressure: 0.000124mmHg at 25°C
• Boiling Point: 334.9°C at 760 mmHg
• Flash Point: 156.3°C
• PSA: 68.54000
• LogP: 0.91330
• XLogP3: -1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 135.03539970
• Heavy Atom Count: 8
• Complexity: 167

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CS(=O)(=O)CC1N

Technology Process of 3-Thiophenamine, tetrahydro-, 1,1-dioxide

There total 3 articles about 3-Thiophenamine, tetrahydro-, 1,1-dioxide 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: 85.0%

3-Sulfolene (77-79-2) → 2,3-dihydrothiophene-1,1-dioxide (1192-16-1) + 3-amino-tetrahydrothiophene 1,1-dioxide (6338-70-1) + Bis-(1,1-dioxo-tetrahydro-1λ6-thiophen-3-yl)-amine (884-51-5) + 3-sulfolanylammonium 3-sulfolanesulfonate

Guidance literature:

With ammonia; Product distribution;

Reference yield:

3-Sulfolene (77-79-2) → 3-amino-tetrahydrothiophene 1,1-dioxide (6338-70-1)

Guidance literature:

With ammonium hydroxide; calcium oxide; at 80 ℃; for 8h;

DOI:10.3390/50801014

Reference yield:

→ 3-amino-tetrahydrothiophene 1,1-dioxide (6338-70-1)

Guidance literature:

DOI:10.1021/jm00289a011

upstream raw materials:

3-Sulfolene

Downstream raw materials:

[5-chloro-3-(1,1-dioxo-tetrahydro-1λ⁶-thiophen-3-ylamino)-2-oxo-6-phenyl-2H-pyrazin-1-yl]-acetic acid benzyl ester

4-(1,1-Dioxotetrahydrothiophen-3-ylamino)-2-methylsulfanylpyrimidine-5-carboxylic acid (4-fluorophenyl)amide

3-[5-({(1R,2S)-2-[(2,2-difluoropropanoyl)amino]-1-phenylpropyl}oxy)-1H-indazol-1-yl]-N-(1,1-dioxidotetrahydrothiophen-3-yl)benzamide

Refernces

• 1、 -. "PYRAZOLO[3,4-B]PYRIDINE COMPOUNDS, AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS". Page 95. . Retrieved 2008/06/13.
• 2、 Johnston,McCaleb,Opliger,Laster,Montgomery. "Synthesis of potential anticancer agents. 38. N-Nitrosoureas. 4. Further synthesis and evaluation of haloethyl derivatives.". . p. 600 - 614. Retrieved 2007/10/04.