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    CAS 207557-35-5
    Also known as: 207557-35-5, (s)-1-(2-chloroacetyl)pyrrolidine-2-carbonitrile, (2s)-1-(2-chloroacetyl)pyrrolidine-2-carbonitrile, (s)-1-(2-chloroacetyl)-pyrrolidine-2-carbonitrile, (s)-1-(2-chloro-acetyl)-pyrrolidine-2-carbonitrile, 2-pyrrolidinecarbonitrile, 1-(2-chloroacetyl)-, (2s)-
    Molecular Formula
    C7H9ClN2O
    Molecular Weight
    172.61  g/mol
    InChI Key
    YCWRPKBYQZOLCD-LURJTMIESA-N
    1 2D Structure

    CAS 207557-35-5

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2S)-1-(2-chloroacetyl)pyrrolidine-2-carbonitrile
    2.1.2 InChI
    InChI=1S/C7H9ClN2O/c8-4-7(11)10-3-1-2-6(10)5-9/h6H,1-4H2/t6-/m0/s1
    2.1.3 InChI Key
    YCWRPKBYQZOLCD-LURJTMIESA-N
    2.1.4 Canonical SMILES
    C1CC(N(C1)C(=O)CCl)C#N
    2.1.5 Isomeric SMILES
    C1C[C@H](N(C1)C(=O)CCl)C#N
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 207557-35-5

    2. (s)-1-(2-chloroacetyl)pyrrolidine-2-carbonitrile

    3. (2s)-1-(2-chloroacetyl)pyrrolidine-2-carbonitrile

    4. (s)-1-(2-chloroacetyl)-pyrrolidine-2-carbonitrile

    5. (s)-1-(2-chloro-acetyl)-pyrrolidine-2-carbonitrile

    6. 2-pyrrolidinecarbonitrile, 1-(2-chloroacetyl)-, (2s)-

    7. 2-pyrrolidinecarbonitrile, 1-(chloroacetyl)-, (2s)-

    8. (2s)-1-(chloroacetyl)pyrrolidine-2-carbonitrile

    9. (2s)-1-(2-chloroacetyl)-2-9-pyrrolidinecarbonitrile

    10. Mfcd08689902

    11. Schembl605418

    12. Dtxsid00454201

    13. Act04998

    14. Cs-d1786

    15. Zinc16697477

    16. Akos006291018

    17. Akos016015838

    18. Ac-8547

    19. (2s)-n-chloroacetyl-2-cyanopyrrolidine

    20. Ds-13426

    21. Db-009115

    22. Am20090696

    23. 1-(chloroacetyl)pyrrolidine-2alpha-carbonitrile

    24. (s)-1-(chloroacetyl)-2-pyrrolidinecarbonitrile

    25. 1-(2-chloroacetyl)pyrrolidine-2-(s)-carbonitrile

    26. 557c355

    27. A814859

    28. (s)-1-(2'-chloroacetyl)pyrrolidine-2-carbonitrile

    29. (s)-1-(2-chloro-acetyl)pyrrolidine-2-carbonitrile

    30. Q-200012

    31. 1-(2-chloroacetyl)pyrrolidine-2-carbonitrile;(s)-1-(2-chloroacetyl)pyrrolidine-2-carbonitrile

    2.3 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 172.61 g/mol
    Molecular Formula C7H9ClN2O
    XLogP30.7
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count1
    Exact Mass172.0403406 g/mol
    Monoisotopic Mass172.0403406 g/mol
    Topological Polar Surface Area44.1 Ų
    Heavy Atom Count11
    Formal Charge0
    Complexity208
    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 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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        (2S)-1-chloroacetyl-2-pyrrolidine c...
        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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