Omshri Labs

CAS 61397-56-6

Chemistry, 2 End Use API, 29 Related Intermediates

Manufacturers/Suppliers

2 Suppliers

2 Suppliers

Also known as: Cis-bbd, 61397-56-6, 61397-57-7, Cis-[2-bromomethyl-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl]methyl benzoate, [(2r,4r)-2-(bromomethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl]methyl benzoate, Trans-[2-bromomethyl-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl]methyl benzoate

Molecular Formula

C₁₈H₁₅BrCl₂O₄

Molecular Weight

446.1 g/mol

InChI Key

OXUPOIXSQGXRGF-KSSFIOAISA-N

1 2D Structure

CAS 61397-56-6

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

[(2R,4R)-2-(bromomethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl]methyl benzoate

2.1.2 InChI

InChI=1S/C18H15BrCl2O4/c19-11-18(15-7-6-13(20)8-16(15)21)24-10-14(25-18)9-23-17(22)12-4-2-1-3-5-12/h1-8,14H,9-11H2/t14-,18-/m0/s1

2.1.3 InChI Key

OXUPOIXSQGXRGF-KSSFIOAISA-N

2.1.4 Canonical SMILES

C1C(OC(O1)(CBr)C2=C(C=C(C=C2)Cl)Cl)COC(=O)C3=CC=CC=C3

2.1.5 Isomeric SMILES

C1[C@@H](O[C@@](O1)(CBr)C2=C(C=C(C=C2)Cl)Cl)COC(=O)C3=CC=CC=C3

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. Cis-bbd

2. 61397-56-6

3. 61397-57-7

4. Cis-[2-bromomethyl-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl]methyl Benzoate

5. [(2r,4r)-2-(bromomethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl]methyl Benzoate

6. Trans-[2-bromomethyl-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl]methyl Benzoate

7. [(2r,4s)-2-(bromomethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl]methyl Benzoate

8. Schembl9096638

9. Dtxsid60976954

10. Zinc1253773

11. Mfcd07370171

12. Akos015963350

13. Ac-19910

14. Bs-32626

15. (2r)-2beta-(bromomethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolane-4beta-methanol Benzoate

16. 1,3-dioxolane-4-methanol, 2-(bromomethyl)-2-(2,4-dichlorophenyl)-,benzoate, (2r,4r)-rel-

17. 1,3-dioxolane-4-methanol, 2-(bromomethyl)-2-(2,4-dichlorophenyl)-, Benzoate, (2r,4r)-rel-

2.3 Create Date

2005-07-11

3 Chemical and Physical Properties

Molecular Formula	C₁₈H₁₅BrCl₂O₄
Molecular Weight	446.1 g/mol
XLogP3	4.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	44.8
Heavy Atom Count	25
Formal Charge	0
Complexity	460
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

List of Suppliers

Full Screen View

Reset Filter

Ask Us

Upload your Marketing & Sales content on your company Virtual Booth, click HERE

Post an Enquiry

India

Virtual Booth

Digital Content

Bis(2-chloroethyl)amine hydrochloride

PDF Supplier PDF

URL Supplier Web Content

CAS Number

821-48-7

End Use API

Ketoconazole

About the Company

Omshri Labs is a privately held specialty chemicals company with corporate headquarters in Indore, Madhya...

Omshri Labs is a privately held specialty chemicals company with corporate headquarters in Indore, Madhya Pradesh. Our company is a leader in chemical technology for Active Pharmaceutical Ingredients (APIs), Intermediates, and custom batch manufacturing. We are committed to “Serve High-Quality Products” to the leading pharma companies in domestic and international markets. Our Research and Development team is highly experienced to synthesis complex and innovative products. We have strong capabilities in process chemistry and develop high quality products efficiently and cost effectively.

ASK
US