(S)-4-Hydroxy-2-(3-methoxypropyl)-3,4-dihydro-2H-thieno[3,2-e][1,2]thiazine-6-sulfonamide 1,1-dioxide

Base Information

• Chemical Name: (S)-4-Hydroxy-2-(3-methoxypropyl)-3,4-dihydro-2H-thieno[3,2-e][1,2]thiazine-6-sulfonamide 1,1-dioxide
• CAS No.: 154127-42-1
• Molecular Formula: C10H16N2O6S3
• Molecular Weight: 356.445
• Hs Code.: 2935009090
• European Community (EC) Number: 807-123-6
• UNII: KCH6847QC4
• DSSTox Substance ID: DTXSID30570261
• Wikidata: Q72465193
• Mol file: 154127-42-1.mol

Synonyms:154127-42-1;(S)-4-Hydroxy-2-(3-methoxypropyl)-3,4-dihydro-2H-thieno[3,2-e][1,2]thiazine-6-sulfonamide 1,1-dioxide;(S)-3,4-Dihydro-4-hydroxy-2-(3-methoxypropyl)-2H-thieno[3,2-e]-1,2-thiazine-6-sulfonamide 1,1-dioxide;(4S)-4-hydroxy-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide;KCH6847QC4;MFCD09033313;(S)-4-Hydroxy-2-(3-methoxypropyl)-3,4-dihydro-2H-thieno[3,2-e][1,2]thiazine-6-sulfonamide1,1-dioxide;(S)-3,4-Dihydro-4-hydroxy-2-(2-methoxyethyl)-2H-thieno(3,2-E)-1,2-thiazine-6-sulfonamide-1,1-dioxide;(S)-3,4-Dihydro-4-hydroxy-2-(3-methoxypropyl)-2h-thieno(3,2-e)-1,2-thiazine-6-sulfonamide 1,1-dioxide;(S)-4-Hydroxy-2-(3-methoxypropyl)-3,4-dihydro-2H-thieno(3,2-E)(1,2)thiazine-6-sulfonamide 1,1-dioxide;2H-Thieno(3,2-E)-1,2-thiazine-6-sulfonamide, 3,4-dihydro-4-hydroxy-2-(3-methoxypropyl)-, 1,1-dioxide, (4S)-;2H-Thieno(3,2-E)-1,2-thiazine-6-sulfonamide, 3,4-dihydro-4-hydroxy-2-(3-methoxypropyl)-, 1,1-dioxide, (S)-;4-Hydroxy-2-(3-methoxypropyl)-3,4-dihydro-2H-thieno(3,2-E)(1,2)thiazine-6-sulfonamide 1,1-dioxide, (S)-;C10H16N2O6S3;UHIWBQIWXWWDKT-MRVPVSSYSA-N;UNII-KCH6847QC4;(4S)-1,1-dioxide-3,4-dihydro-4-hydroxy-2-(3-Methoxypropyl)-2H-Thieno[3,2-e]-1,2-thiazine-6-sulfonaMide;(4S)-3,4-Dihydro-4-hydroxy-2-(3-methoxypropyl)-2H-thieno[3,2-e]-1,2-thiazine-6-sulfonamide 1,1-Dioxide;SCHEMBL2631258;DTXSID30570261;AKOS015897318;s12065;AC-22720;AS-18650;CID 15225314;CS-0085203;J-502439;(S)-3,4-Dihydro-4-hydroxy-2-(3-methoxypropyl)-2H-thieno[3,2-e]-1,2-thiazine-6-sulfonamide 1,1-Dioxide;(4S)-4-Hydroxy-2-(3-methoxypropyl)-1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~-thieno[3,2-e][1,2]thiazine-6-sulfonamide;(s)-2-(3-methoxypropyl)-3,4-dihydro-2h-thieno[3,2-e][1,2]thiazine-4-ol-6-sulfonamide-1,1- dioxide;(S)-2-(3-methoxypropyl)-3,4-dihydro-2H-thieno[3,2-e][1,2]thiazine-4-ol-6-sulfonamide-1,1-dioxide;(S)-3,4-DIHYDRO-4-HYDROXY-2-(3-METHOXYPROPYL)-2H-THIENO[3,2-E]-1,2-THIAZINE-6-SULFONAMIDE-1,1-DIOXIDE;(S)-4-Hydroxy-2-(3-methoxypropyl)-3,4-dihydro-2H-thieno-[3,2-e][1,2]thiazine-6-sulfonamide 1,1-dioxide;3,4-Dihydro-4(S)-hydroxy-2-(3-methoxypropyl)-2H-thieno[3,2-e]-1,2-thiazine-6-sulfonamide-1,1-dioxide

Chemical Property of (S)-4-Hydroxy-2-(3-methoxypropyl)-3,4-dihydro-2H-thieno[3,2-e][1,2]thiazine-6-sulfonamide 1,1-dioxide

Chemical Property:

• Vapor Pressure: 7.49E-16mmHg at 25°C
• Refractive Index: 1.615
• Boiling Point: 612.4 °C at 760 mmHg
• PKA: 9.53±0.40(Predicted)
• Flash Point: 324.2 °C
• PSA: 172.00000
• Density: 1.575 g/cm³
• LogP: 2.26950
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: -0.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 5
• Exact Mass: 356.01704976
• Heavy Atom Count: 21
• Complexity: 567

Purity/Quality:

99%, ^*data from raw suppliers

(S)-4-Hydroxy-2-(3-methoxypropyl)-3,4-dihydro-2H-thieno[3,2-e][1,2]thiazine-6-sulfonamide1,1-Dioxide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COCCCN1CC(C2=C(S1(=O)=O)SC(=C2)S(=O)(=O)N)O
• Isomeric SMILES: COCCCN1C[C@H](C2=C(S1(=O)=O)SC(=C2)S(=O)(=O)N)O
• Uses: (S)-4-Hydroxy-2-(3-methoxypropyl)-3,4-dihydro-2H-thieno[3,2-e][1,2]thiazine-6-sulfonamide 1,1-Dioxide has been used as a reactant for the preparation of Brinzolamide (AL-4862) [B677600], a topical carbonic anhydrase inhibitor.

Technology Process of (S)-4-Hydroxy-2-(3-methoxypropyl)-3,4-dihydro-2H-thieno[3,2-e][1,2]thiazine-6-sulfonamide 1,1-dioxide

There total 12 articles about (S)-4-Hydroxy-2-(3-methoxypropyl)-3,4-dihydro-2H-thieno[3,2-e][1,2]thiazine-6-sulfonamide 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: 65.2%

C10H15BrN2O6S3 (1245550-91-7) → (S)-3,4-dihydro-4-hydroxy-2(3-methoxypropyl)-4H-thieno[3,2-e]-1,2-thiazine-6-sulfonamide-1,1-dioxide (154127-42-1)

Guidance literature:

C₁₀H₁₅BrN₂O₆S₃; With (-)-chlorodiisopinocampheylborane; In hexane; tert-butyl methyl ether; at -40 - -20 ℃; Inert atmosphere;

With sodium hydroxide; In hexane; tert-butyl methyl ether; water; at 25 - 30 ℃;

Reference yield: 61.0%

(S)-3,4-dihydro-6-chloro-4-hydroxy-2-(3-methoxypropyl)-4H-thieno[3,2-e]-1,2-thiazine 1,1-dioxide (160982-13-8) → (S)-3,4-dihydro-4-hydroxy-2(3-methoxypropyl)-4H-thieno[3,2-e]-1,2-thiazine-6-sulfonamide-1,1-dioxide (154127-42-1)

Guidance literature:

(S)-3,4-dihydro-6-chloro-4-hydroxy-2-(3-methoxypropyl)-4H-thieno[3,2-e]-1,2-thiazine 1,1-dioxide; With n-butyllithium; In tetrahydrofuran; hexane; at -70 - -66 ℃; for 3.5h; Inert atmosphere;

With sulfur dioxide; In tetrahydrofuran; hexane; at 20 ℃; pH=4;

With sodium acetate trihydrate; hydroxylamine-O-sulfonic acid; In water; at 0 - 25 ℃; for 15h;

DOI:10.1021/op9802125

Reference yield: 60.0%

(S)-3,4-dihydro-4-hydroxy-2-(3-methoxypropyl)-2H-thieno[3,2-e]-1,2-thiazine-1,1-dioxide (1029324-91-1) → (S)-3,4-dihydro-4-hydroxy-2(3-methoxypropyl)-4H-thieno[3,2-e]-1,2-thiazine-6-sulfonamide-1,1-dioxide (154127-42-1)

Guidance literature:

(S)-3,4-dihydro-4-hydroxy-2-(3-methoxypropyl)-2H-thieno[3,2-e]-1,2-thiazine-1,1-dioxide; With sec.-butyllithium; In tetrahydrofuran; cyclohexane; at -5 - 0 ℃; for 8.75h; Inert atmosphere;

With sulfur dioxide; In tetrahydrofuran; cyclohexane; at -65 - 20 ℃; Inert atmosphere;

With sodium acetate trihydrate; hydroxylamine-O-sulfonic acid; In water; at 0 - 20 ℃; Product distribution / selectivity;

upstream raw materials:

2H-thieno[3,2-e]-1,2-thiazin-6-sulphonamide, 3,4-dihydro-2-(3-methoxypropyl)-4-oxo-, 1,1-dioxide

2,2'-iminobis[ethanol]

(S)-3,4-dihydro-4-hydroxy-2-(3-methoxypropyl)-2H-thieno[3,2-e]-1,2-thiazine-1,1-dioxide

C₁₀H₁₅BrN₂O₆S₃

Downstream raw materials:

brinzolamide

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