Kores India Limited

CAS 865759-24-6

Chemistry, 2 End Use API, 8 Related Intermediates

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Also known as: 865759-24-6, 2-[(6-chloro-3-methyl-2,4-dioxopyrimidin-1-yl)methyl]-4-fluorobenzonitrile, 2-[(6-chloro-3,4-dihydro-3-methyl-2,4-dioxo-1(2h)-pyrimidinyl)methyl]-4-fluorobenzonitrile, Benzonitrile, 2-[(6-chloro-3,4-dihydro-3-methyl-2,4-dioxo-1(2h)-pyrimidinyl)methyl]-4-fluoro-, Schembl305972, Amy36781

Molecular Formula

C₁₃H₉ClFN₃O₂

Molecular Weight

293.68 g/mol

InChI Key

DNCGCZRILRRTMK-UHFFFAOYSA-N

1 2D Structure

CAS 865759-24-6

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-[(6-chloro-3-methyl-2,4-dioxopyrimidin-1-yl)methyl]-4-fluorobenzonitrile

2.1.2 InChI

InChI=1S/C13H9ClFN3O2/c1-17-12(19)5-11(14)18(13(17)20)7-9-4-10(15)3-2-8(9)6-16/h2-5H,7H2,1H3

2.1.3 InChI Key

DNCGCZRILRRTMK-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CN1C(=O)C=C(N(C1=O)CC2=C(C=CC(=C2)F)C#N)Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 865759-24-6

2. 2-[(6-chloro-3-methyl-2,4-dioxopyrimidin-1-yl)methyl]-4-fluorobenzonitrile

3. 2-[(6-chloro-3,4-dihydro-3-methyl-2,4-dioxo-1(2h)-pyrimidinyl)methyl]-4-fluorobenzonitrile

4. Benzonitrile, 2-[(6-chloro-3,4-dihydro-3-methyl-2,4-dioxo-1(2h)-pyrimidinyl)methyl]-4-fluoro-

5. Schembl305972

6. Amy36781

7. Bcp10860

8. Cs-m2175

9. Zinc113532902

10. Sb59591

11. Ac-29070

12. Cs-13614

13. A850074

14. 2-(6-chloro-3-methyl-2,4-dioxo-3,4-dihydro-2h-pyrimidin-1-ylmethyl)-4-fluoro-benzonitrile

15. 2-[[6-chloro-3-methyl-2,4-dioxo-3,4-dihydropyrimidine-1(2h)-yl]methyl]-4-fluorobenzonitrile

2.3 Create Date

2007-12-05

3 Chemical and Physical Properties

Molecular Formula	C₁₃H₉ClFN₃O₂
Molecular Weight	293.68 g/mol
XLogP3	1.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	293.0367324 g/mol
Monoisotopic Mass	293.0367324 g/mol
Topological Polar Surface Area	64.4 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	513
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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6-Chloro-3-methyluracil

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CAS Number

4318-56-3

End Use API

Trelagliptin

About the Company

The division was established in 1981 as a Specialty Chemicals Division with a focus to manufacture specia...

The division was established in 1981 as a Specialty Chemicals Division with a focus to manufacture specialty chemicals and pharmaceutical intermediates. In April 2006, the division has been renamed as ‘Pharmaceuticals & Chemicals Division’ to focus strongly on the manufacturing of active pharmaceutical ingredients and pharmaceutical intermediates. Located at Roha, the manufacturing site is about 140 km from the city of Mumbai and occupies an area of 40,000 sq.m. The division employs over 200 people and has the capacity to develop and execute a range of chemical processes. It also provides for innovative process design and scale-up.

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