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    CAS 219823-47-9

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    CAS 219823-47-9
    Also known as: 219823-47-9, (3r)-tetrahydrofuran-3-yl 4-methylbenzenesulfonate, A4fnd4p2ym, [(3r)-oxolan-3-yl] 4-methylbenzenesulfonate, (r)-toluene-4-sulfonic acid tetrahydrofuran-3-yl ester, (3r)-oxolan-3-yl 4-methylbenzene-1-sulfonate
    Molecular Formula
    C11H14O4S
    Molecular Weight
    242.29  g/mol
    InChI Key
    WWCNXHYRAKUQDB-SNVBAGLBSA-N
    FDA UNII
    A4FND4P2YM
    1 2D Structure

    CAS 219823-47-9

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    [(3R)-oxolan-3-yl] 4-methylbenzenesulfonate
    2.1.2 InChI
    InChI=1S/C11H14O4S/c1-9-2-4-11(5-3-9)16(12,13)15-10-6-7-14-8-10/h2-5,10H,6-8H2,1H3/t10-/m1/s1
    2.1.3 InChI Key
    WWCNXHYRAKUQDB-SNVBAGLBSA-N
    2.1.4 Canonical SMILES
    CC1=CC=C(C=C1)S(=O)(=O)OC2CCOC2
    2.1.5 Isomeric SMILES
    CC1=CC=C(C=C1)S(=O)(=O)O[C@@H]2CCOC2
    2.2 Other Identifiers
    2.2.1 UNII
    A4FND4P2YM
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 219823-47-9

    2. (3r)-tetrahydrofuran-3-yl 4-methylbenzenesulfonate

    3. A4fnd4p2ym

    4. [(3r)-oxolan-3-yl] 4-methylbenzenesulfonate

    5. (r)-toluene-4-sulfonic Acid Tetrahydrofuran-3-yl Ester

    6. (3r)-oxolan-3-yl 4-methylbenzene-1-sulfonate

    7. 4-methylbenzenesulfonic Acid (3r)-oxolan-3-yl Ester

    8. Tetrahydrofuran-3-yl 4-methylbenzenesulfonate, (3r)-

    9. 3-furanol, Tetrahydro-, 3-(4-methylbenzenesulfonate), (3r)-

    10. Mfcd27947543

    11. Unii-a4fnd4p2ym

    12. Schembl507364

    13. Zinc34165052

    14. Ac-29063

    15. Bs-16642

    16. Cs-0106178

    17. R)-3-(p-toluenesulfonyl) Oxytetrahydrofuran

    18. (3r)-oxolan-3-yl4-methylbenzene-1-sulfonate

    19. (r)-tetrahydrofuran-3-yl4-methylbenzenesulfonate

    20. (r)-3-(4-methylphenylsulfonyloxy)-tetrahydrofuran

    21. (r)-tetrahydrofuran-3-yl-4-methylbenzenesulfonate

    22. (r)-3-(4-methylphenyl-sulfonyloxy)-tetrahydrofuran

    23. (r)-3-[(4-methylphenyl)sulphonyloxy]-tetrahydrofuran

    24. [(3r)-tetrahydrofuran-3-yl] 4-methylbenzenesulfonate

    25. P-toluenesulfonic Acid (r)-tetrahydrofuran-3-yl Ester

    26. (r)-toluene-4-sulfonic Acid Tetrahydro-furan-3-yl Ester

    27. Toluene-4-sulfonic Acid (r)-(tetrahydro-furan-3-yl) Ester

    28. Toluene-4-sulfonic Acid (r)-(tetrahydro-furan-3-yl)ester

    2.4 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 242.29 g/mol
    Molecular Formula C11H14O4S
    XLogP31.6
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count3
    Exact Mass242.06128010 g/mol
    Monoisotopic Mass242.06128010 g/mol
    Topological Polar Surface Area61 Ų
    Heavy Atom Count16
    Formal Charge0
    Complexity311
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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        Founded in 2003, Senary Chem is one of the Key High-Tech Enterprises of National Torch Plan. Senary located in National Cangzhou Lingang Economic and Technological Development Zone,Cangzhou City,Hebei Province. Senary cover an area of 67,000 square meters, and 300 professionals work there. Senary R&D organization recognized as the Hebei Provincial Engineering Technology Center is comprised of two R & D centers in Tianjin and Cangzhou, and it employs 80 experienced scientists in total. Senary focus on the development, production and sales of advanced pharmaceutical intermediates. Especially, Senary has leading technology and manufacturing capacity for diabetes drug intermediates. All intermediates of DPP4 and SGLT2 class drugs on market have been commercialized production. Senary has 150 sets of 50 ~ 8000L reactor with annual production capacity of 1,000 tons, which can handle both low and high temperature reactions within -100 ~ 240 ℃ range, all kinds of catalytic reactions within 0 ~ 5MPa pressure, and moisture and/or oxygen sensitive reactions. Senary also has expertise in chiral synthesis with leading technologies. The advanced sewage treatment system at Senery has processing capacity of 600 tons daily. Senary has an excellent team that has rich quality management experience.We have established a set of normative and perfect quality managment system,monitoring the whole process of risk assessment,R&D,transfer from pilot scale to commercial production,manufacturing,analysis and sales service. Senary will continue to dedicate on the field of pharmaceutical intermediates to provide the best service for domestic and foreign API pharmaceutical companies with high quality and timely supply of products.
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          Founded in 2003, Senary Chem is one of the Key High-Tech Enterprises of National Torch Plan. Senary locat...
          Founded in 2003, Senary Chem is one of the Key High-Tech Enterprises of National Torch Plan. Senary located in National Cangzhou Lingang Economic and Technological Development Zone,Cangzhou City,Hebei Province. Senary cover an area of 67,000 square meters, and 300 professionals work there. Senary R&D organization recognized as the Hebei Provincial Engineering Technology Center is comprised of two R & D centers in Tianjin and Cangzhou, and it employs 80 experienced scientists in total. Senary focus on the development, production and sales of advanced pharmaceutical intermediates. Especially, Senary has leading technology and manufacturing capacity for diabetes drug intermediates. All intermediates of DPP4 and SGLT2 class drugs on market have been commercialized production. Senary has 150 sets of 50 ~ 8000L reactor with annual production capacity of 1,000 tons, which can handle both low and high temperature reactions within -100 ~ 240 ℃ range, all kinds of catalytic reactions within 0 ~ 5MPa pressure, and moisture and/or oxygen sensitive reactions. Senary also has expertise in chiral synthesis with leading technologies. The advanced sewage treatment system at Senery has processing capacity of 600 tons daily. Senary has an excellent team that has rich quality management experience.We have established a set of normative and perfect quality managment system,monitoring the whole process of risk assessment,R&D,transfer from pilot scale to commercial production,manufacturing,analysis and sales service. Senary will continue to dedicate on the field of pharmaceutical intermediates to provide the best service for domestic and foreign API pharmaceutical companies with high quality and timely supply of products.
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