Val Organics

CAS 67914-86-7

Chemistry, 4 End Use API, 13 Related Intermediates

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2 Intermediates

2 Intermediates

Also known as: 67914-86-7, [(2r,4r)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl methanesulfonate, Cis-2-(2,4-dichlorophenyl)-2-(1h-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-ylmethyl methanesulphonate, (cis-2-((1h-1,2,4-triazol-1-yl)methyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl)methyl methanesulfonate, Rac,cis-[2-(2,4-dichlorophenyl)-2-(1h-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl methanesulfonate, Cis-[2-(2,4-dichlorophenyl)-2-(1h-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl methanesulfonate

Molecular Formula

C₁₄H₁₅Cl₂N₃O₅S

Molecular Weight

408.3 g/mol

InChI Key

QIMASXGTWQEFGS-RISCZKNCSA-N

FDA UNII

T2I5SBS81M

1 2D Structure

CAS 67914-86-7

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

[(2R,4R)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl methanesulfonate

2.1.2 InChI

InChI=1S/C14H15Cl2N3O5S/c1-25(20,21)23-6-11-5-22-14(24-11,7-19-9-17-8-18-19)12-3-2-10(15)4-13(12)16/h2-4,8-9,11H,5-7H2,1H3/t11-,14+/m1/s1

2.1.3 InChI Key

QIMASXGTWQEFGS-RISCZKNCSA-N

2.1.4 Canonical SMILES

CS(=O)(=O)OCC1COC(O1)(CN2C=NC=N2)C3=C(C=C(C=C3)Cl)Cl

2.1.5 Isomeric SMILES

CS(=O)(=O)OC[C@H]1CO[C@](O1)(CN2C=NC=N2)C3=C(C=C(C=C3)Cl)Cl

2.2 Other Identifiers

2.2.1 UNII

T2I5SBS81M

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 67914-86-7

2. [(2r,4r)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl Methanesulfonate

3. Cis-2-(2,4-dichlorophenyl)-2-(1h-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-ylmethyl Methanesulphonate

4. (cis-2-((1h-1,2,4-triazol-1-yl)methyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl)methyl Methanesulfonate

5. Rac,cis-[2-(2,4-dichlorophenyl)-2-(1h-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl Methanesulfonate

6. Cis-[2-(2,4-dichlorophenyl)-2-(1h-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl Methanesulfonate

7. T-1333 Free Base

8. Cis-2-(2,4-dichlorophenyl)-2-(1h-1,2,4-triazol-1-ylmethyl)-1,3-dioxolane-4-methanol Mesilate

9. T2i5sbs81m

10. Cis-[2-(2,4-dichlorophenyl)-2-(1h-1,2,4-triazol-1-yl-methyl)-1,3-dioxolan-4-yl]methyl Methanesulfonate

11. Zinc2274715

12. Ac-329

13. Mfcd06410887

14. Akos015961384

15. As-14152

16. Cs-0157098

17. W16715

18. 914d867

19. W-203507

20. ((2r,4r)-2-((1h-1,2,4-triazol-1-yl)methyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl)methyl Methanesulfonate

21. (cis-2-((1h-1,2,4-triazol-1-yl)methyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl)methylmethanesulfonate

22. 1,3-dioxolane-4-methanol, 2-(2,4-dichlorophenyl)-2-(1h-1,2,4-triazol-1-ylmethyl)-, 4-methanesulfonate, (2r,4r)-rel-

23. Cis-[2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl-methyl)-1,3-dioxolan-4-yl]methyl Methanesulphonate

24. Methanesulfonic Acid [(2r)-2alpha-(2,4-dichlorophenyl)-2beta-(1h-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4beta-yl]methyl Ester

2.4 Create Date

2005-07-13

3 Chemical and Physical Properties

Molecular Formula	C₁₄H₁₅Cl₂N₃O₅S
Molecular Weight	408.3 g/mol
XLogP3	1.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Exact Mass	407.0109471 g/mol
Monoisotopic Mass	407.0109471 g/mol
Topological Polar Surface Area	101 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	563
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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2,4-DichloroAcetophenone

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CAS Number

2234-16-4

End Use API

Itraconazole

About the Company

Val Organics Private Limited was established in 1998, headquartered in Mumbai. Over a period, the Company...

Val Organics Private Limited was established in 1998, headquartered in Mumbai. Over a period, the Company has grown progressively to become a leading manufacturer of intermediates for Dyestuffs, Pigments, Pharma and Agro-chemical industries. Today we supply to most of the multinational and large renowned Indian companies in their respective fields. We are among the leading exporters of Intermediates in our market segments. Val Organics Private Limited is the leader of Friedel Crafts reactions and distillation processes in the country with high quality products and flexibility of the plant to cater to specific customer needs.

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