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    Also known as: 80841-78-7, 4-chloromethyl-5-methyl-1,3-dioxol-2-one, 4-cloromethyl-5-methyl-1,3-dioxol-2-one, 4-chloromethyl-5-methyl-1,3-dioxolen-2-one, 1,3-dioxol-2-one, 4-(chloromethyl)-5-methyl-, 4-choromethyl-5-methyl-2-oxo-1,3-dioxole
    Molecular Formula
    C5H5ClO3
    Molecular Weight
    148.54  g/mol
    InChI Key
    QCLFSYYUWPUWQR-UHFFFAOYSA-N
    CAS 80841-78-7
    1 2D Structure

    CAS 80841-78-7

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-(chloromethyl)-5-methyl-1,3-dioxol-2-one
    2.1.2 InChI
    InChI=1S/C5H5ClO3/c1-3-4(2-6)9-5(7)8-3/h2H2,1H3
    2.1.3 InChI Key
    QCLFSYYUWPUWQR-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=C(OC(=O)O1)CCl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 80841-78-7

    2. 4-chloromethyl-5-methyl-1,3-dioxol-2-one

    3. 4-cloromethyl-5-methyl-1,3-dioxol-2-one

    4. 4-chloromethyl-5-methyl-1,3-dioxolen-2-one

    5. 1,3-dioxol-2-one, 4-(chloromethyl)-5-methyl-

    6. 4-choromethyl-5-methyl-2-oxo-1,3-dioxole

    7. Mfcd07787494

    8. Ec 617-178-6

    9. Schembl94170

    10. 4-(chloromethyl)-5-methyl-2h-1,3-dioxol-2-one

    11. Dtxsid50431805

    12. Amy40443

    13. Bcp26717

    14. Zinc21300263

    15. Akos006380113

    16. Cs-w019685

    17. Sb41032

    18. Ac-25864

    19. As-10967

    20. Sy030049

    21. 4-chloromethyl-5methyl-1,3-dioxol-2-one

    22. 4-chloromethyl-5-methyl-2-oxo-1,3-dioxole

    23. C1882

    24. Ft-0600795

    25. 4-chloromethyl-5-methyl-[1,3]dioxol-2-one

    26. 4-chloromethyl-5-methyl-1,3-dioxolene-2-one

    27. 4-chloromethyl-5-methyl-2-oxo-1,3-dioxolene

    28. 4-chloromethyl-5-methyl-1,3-dioxol-2-one, 97%

    29. 841c787

    30. (5-methyl-2-oxo-1,3-dioxolen-4-yl)methyl Chloride

    31. J-513698

    32. (5-methyl -2-oxo-1,3-dioxolen-4-yl)methyl Chloride

    33. 4-cloromethyl-5-methyl-1,3-dioxol-2-one (dmdo-cl)

    2.3 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 148.54 g/mol
    Molecular Formula C5H5ClO3
    XLogP31.1
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count1
    Exact Mass147.9927217 g/mol
    Monoisotopic Mass147.9927217 g/mol
    Topological Polar Surface Area35.5 Ų
    Heavy Atom Count9
    Formal Charge0
    Complexity173
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

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    INTERMEDIATES

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    Various Intermediates needed in India [ENA08251]
    An integrated pharmaceutical company operating in the domestic and international markets in the Branded Formulations, Global Generics and Synthetic APIs space is looking for suppliers of Various Intermediates. The suppliers must support this enquiry with CoA. 1. 3-hydroxy-alpha-methyl-L-tyrosine (CAS 555-30-6). The required R&D quantity is 2.8 kg and the annual commercial quantity is 5600 MT. 2. 5-[4'-(Bromomethyl)[1,1'-biphenyl]-2-yl]-1-(triphenylmethyl)-1H-tetrazole (CAS 124750-51-2). The required R&D quantity is 8 kg and the annual commercial quantity is 200 MT. 3. Ethyl 5-(1-Hydroxy-1-methyl-ethyl)-2-propyl-3H-imidazole-4-carboxylate (CAS 144689-93-0). The required R&D quantity is 3.8 kg and the annual commercial quantity is 94 MT. 4. 4-Chloromethyl-5-methyl-[1,3]dioxol-2-one (CAS 80841-78-7). The required R&D quantity is 2.5 kg and the annual commercial quantity is 62.5 MT. 5. L-Valine methyl ester hydrochloride (CAS 6306-52-1). The required R&D quantity is 1.6 kg and the annual commercial quantity is 39 MT. 6. Pentanoyl chloride (CAS 638-29-9). The required R&D quantity is 1.5 kg and the annual commercial quantity is 37.6 MT.
    17 Aug 2020

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    17 Aug 2020

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    17 Aug 2020

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    Olmesartan Medoxomil Intermediate needed in India [ENA06067]
    Pride Tanisha scientific solutions, a trading company based out of India is looking for suppliers of 4-Chloromethyl-5-methyl-1,3-dioxol-2-one (250 kg) intermediate. Interested suppliers can contact them via Email: ptss827@gmail.com or Tel: Mobile: +91 8247031901.
    14 Dec 2019

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    14 Dec 2019

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    14 Dec 2019

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    Olmesartan intermediates needed in Spain [ENA05155]
    An international privately held pharmaceutical company providing quality food and pharma products is looking for suppliers of Olmesartan intermediates mentioned below: 1. Ethyl 4-(1-hydroxy-1-methylethyl)-2-propyl-imidazole-5-carboxylate (CAS No. 144689-93-0) - 600 kg 2. 5-[4'-(Bromomethyl)-1,1'-biphenyl-2-yl]-2-trityl-2H-tetrazole (CAS No. 133051-88-4) - 1200 kg 3. 4-Chloromethy-5-methyl-1,3-dioxol-2-one (CAS No. 80841-78-7) - 1200 kg.
    13 Sep 2019

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    13 Sep 2019

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    13 Sep 2019

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