2-(1,1-Dioxidotetrahydrothiophen-3-yl)acetic acid

Base Information

• Chemical Name: 2-(1,1-Dioxidotetrahydrothiophen-3-yl)acetic acid
• CAS No.: 4785-66-4
• Molecular Formula: C6H10 O4 S
• Molecular Weight: 178.21
• European Community (EC) Number: 854-687-4
• DSSTox Substance ID: DTXSID70349594
• ChEMBL ID: CHEMBL1550213
• Mol file: 4785-66-4.mol

Synonyms:4785-66-4;2-(1,1-Dioxidotetrahydrothiophen-3-yl)acetic acid;(1,1-dioxidotetrahydro-3-thienyl)acetic acid;2-(1,1-dioxothiolan-3-yl)acetic acid;(1,1-dioxidotetrahydrothien-3-yl)acetic acid;(1,1-Dioxo-tetrahydro-1lambda*6*-thiophen-3-yl)-acetic acid;MFCD00047103;2-(1,1-dioxo-1lambda6-thiolan-3-yl)acetic acid;3-SULFOLANYL ACETIC ACID;(1,1-dioxidotetrahydrothiophen-3-yl)acetic acid;MLS000070574;3-Thiopheneacetic acid, tetrahydro-, 1,1-dioxide;SCHEMBL3531457;CHEMBL1550213;DTXSID70349594;HMS1678D09;HMS2370B16;BBL010300;STK369211;AKOS000269561;AKOS016039504;RS-0314;SMR000001192;(2-methoxyphenyl)piperazin-1-yl-methanone;BB 0260532;CS-0207213;EU-0080293;EN300-14006;(1,1-Dioxo-1lambda~6~-thiolan-3-yl)acetic acid;2-(1,1-Dioxidotetrahydrothiophen-3-yl)aceticacid;A872048;SR-01000504787;SR-01000504787-1;Z57162030;F1294-0104

Chemical Property of 2-(1,1-Dioxidotetrahydrothiophen-3-yl)acetic acid

Chemical Property:

• Vapor Pressure: 6.41E-10mmHg at 25°C
• Boiling Point: 464.6°Cat760mmHg
• Flash Point: 234.8°C
• PSA: 79.82000
• Density: 1.397g/cm³
• LogP: 0.97660
• Storage Temp.: 2-8°C
• XLogP3: -0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 178.02997997
• Heavy Atom Count: 11
• Complexity: 248

Purity/Quality:

97% ^*data from raw suppliers

(1,1-Dioxidotetrahydro-3-thienyl)aceticacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CS(=O)(=O)CC1CC(=O)O

Technology Process of 2-(1,1-Dioxidotetrahydrothiophen-3-yl)acetic acid

There total 1 articles about 2-(1,1-Dioxidotetrahydrothiophen-3-yl)acetic acid 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:

→ (1,1-dioxo-tetrahydro-1λ6-thiophen-3-yl)-acetic acid (4785-66-4)

Guidance literature:

<1,1-Dioxo-tetrahydro-thienyl-(3)>-malonsaeure (49) ; Er- hitzen;

DOI:10.1021/jo01055a040

Reference yield: 77.0%

(1,1-dioxo-tetrahydro-1λ6-thiophen-3-yl)-acetic acid (4785-66-4) + benzylamine (100-46-9) → N-Benzyl-2-(1,1-dioxo-tetrahydro-1λ6-thiophen-3-yl)-acetamide

Guidance literature:

With polymer tethered 1-ethyl-3-(3-dimethylaminopropyl)carbodiimide (2, P-EDC); In chloroform; Ambient temperature;

DOI:10.1016/S0040-4039(00)61539-3

Reference yield:

(1,1-dioxo-tetrahydro-1λ6-thiophen-3-yl)-acetic acid (4785-66-4) + N-((5S)-3-(4-(1,2,5,6-tetrahydropyrid-4-yl)phenyl)-2-oxooxazolidin-5-ylmethyl)acetamide, trifluoroacetic salt → C24H31N3O5S

Guidance literature:

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