CAS 60456-22-6

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CHEMISTRY

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2 Suppliers, 2 End Use APIs, 5 Related Intermediates

2 Suppliers
2 End Use APIs
5 Related Intermediates

Chemistry

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Also known as: 60456-22-6, (s)-4-chloromethyl-2,2-dimethyl-1,3-dioxolane, (4s)-4-(chloromethyl)-2,2-dimethyl-1,3-dioxolane, (s)-(-)-3-chloro-1,2-propanediol acetonide, (s)-(-)-4-(chloromethyl)-2,2-dimethyl-1,3-dioxolane, Jy2t4w3yan

Molecular Formula

C₆H₁₁ClO₂

Molecular Weight

150.60 g/mol

InChI Key

BNPOTXLWPZOESZ-RXMQYKEDSA-N

FDA UNII

JY2T4W3YAN

1 2D Structure

CAS 60456-22-6

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(4S)-4-(chloromethyl)-2,2-dimethyl-1,3-dioxolane

2.1.2 InChI

InChI=1S/C6H11ClO2/c1-6(2)8-4-5(3-7)9-6/h5H,3-4H2,1-2H3/t5-/m1/s1

2.1.3 InChI Key

BNPOTXLWPZOESZ-RXMQYKEDSA-N

2.1.4 Canonical SMILES

CC1(OCC(O1)CCl)C

2.1.5 Isomeric SMILES

CC1(OC[C@H](O1)CCl)C

2.2 Other Identifiers

2.2.1 UNII

JY2T4W3YAN

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 60456-22-6

2. (s)-4-chloromethyl-2,2-dimethyl-1,3-dioxolane

3. (4s)-4-(chloromethyl)-2,2-dimethyl-1,3-dioxolane

4. (s)-(-)-3-chloro-1,2-propanediol Acetonide

5. (s)-(-)-4-(chloromethyl)-2,2-dimethyl-1,3-dioxolane

6. Jy2t4w3yan

7. (s)-3-chloro-1,2-propanediol Acetonide

8. 4-(chloromethyl)-2,2-dimethyl-1,3-dioxolane, (-)-

9. 1,3-dioxolane, 4-(chloromethyl)-2,2-dimethyl-, (4s)-

10. (s)-(-)-4-chloromethyl-2,2-dimethyl-1,3-dioxolane

11. Mfcd00273365

12. 1,3-dioxolane, 4-(chloromethyl)-2,2-dimethyl-, (s)-

13. Unii-jy2t4w3yan

14. Schembl1077396

15. Bnpotxlwpzoesz-rxmqykedsa-

16. Bnpotxlwpzoesz-rxmqykedsa-n

17. Akos015848755

18. Ac-6920

19. Cs-w018133

20. Bp-21447

21. Cs-11303

22. C1796

23. I11526

24. ?(s)-(-)-3-chloro-1,2-propanediol Acetonide

25. En300-7149401

26. (s)-2,2-dimethyl-4-chloromethyl-1,3-dioxolane

27. (s)-4-chloromethyl-2,2-dimethyl-[1,3]dioxolane

28. (s)-(+)-4-(chloromethyl)-2,2-dimethyl-1,3-dioxolane

29. (s)-(-)-4-(chloromethyl)-2,2-dimethyl-1,3-dioxolane, 98%

30. (4s)-4-(chloromethyl)-2,2-dimethyl-1,3-dioxolane 100 Microg/ml In Acetonitrile

31. Inchi=1/c6h11clo2/c1-6(2)8-4-5(3-7)9-6/h5h,3-4h2,1-2h3/t5-/m1/s1

32. 1,3-dioxolane, 4-(chloromethyl)-2,2-dimethyl-, (4s)-; 1,3-dioxolane, 4-(chloromethyl)-2,2-dimethyl-, (s)-; (4s)-4-(chloromethyl)-2,2-dimethyl-1,3-dioxolane; (s)-3-chloro-1,2-propanediol Acetonide; (s)-4-(chloromethyl)-2,2-dimethyl-1,3-dioxolane

2.4 Create Date

2006-07-28

3 Chemical and Physical Properties

Molecular Formula	C₆H₁₁ClO₂
Molecular Weight	150.60 g/mol
XLogP3	1.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	18.5
Heavy Atom Count	9
Formal Charge	0
Complexity	103
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1