1799799-87-3

Chemistry, 2 End Use API, 4 Related Intermediates

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Also known as: 960201-86-9, Tert-butyl 4-[(2e)-3-(dimethylamino)prop-2-enoyl]-piperidine-1-carboxylate, Tert-butyl 4-(3-(dimethylamino)acryloyl)piperidine-1-carboxylate, Tert-butyl 4-[(e)-3-(dimethylamino)prop-2-enoyl]piperidine-1-carboxylate, 1799799-87-3, Mfcd08898850

Molecular Formula

C₁₅H₂₆N₂O₃

Molecular Weight

282.38 g/mol

InChI Key

NWAKHTZENIYBGL-CMDGGOBGSA-N

1 2D Structure

1799799-87-3

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

tert-butyl 4-[(E)-3-(dimethylamino)prop-2-enoyl]piperidine-1-carboxylate

2.1.2 InChI

InChI=1S/C15H26N2O3/c1-15(2,3)20-14(19)17-10-6-12(7-11-17)13(18)8-9-16(4)5/h8-9,12H,6-7,10-11H2,1-5H3/b9-8+

2.1.3 InChI Key

NWAKHTZENIYBGL-CMDGGOBGSA-N

2.1.4 Canonical SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)C=CN(C)C

2.1.5 Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)/C=C/N(C)C

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 960201-86-9

2. Tert-butyl 4-[(2e)-3-(dimethylamino)prop-2-enoyl]-piperidine-1-carboxylate

3. Tert-butyl 4-(3-(dimethylamino)acryloyl)piperidine-1-carboxylate

4. Tert-butyl 4-[(e)-3-(dimethylamino)prop-2-enoyl]piperidine-1-carboxylate

5. 1799799-87-3

6. Mfcd08898850

7. 1-piperidinecarboxylic Acid, 4-[(2e)-3-(dimethylamino)-1-oxo-2-propenyl]-, 1,1-dimethylethyl Ester

8. Schembl16827768

9. Schembl16827771

10. Albb-009358

11. Ac7461

12. Stk505863

13. Akos005172311

14. Bs-18058

15. Bb 0263062

16. Cs-0098341

17. Tert-butyl4-(3-(dimethylamino)acryloyl)piperidine-1-carboxylate

18. Tert-butyl (e)-4-(3-(dimethylamino)acryloyl)piperidine-1-carboxylate

19. 1-piperidinecarboxylic Acid, 4-[3-(dimethylamino)-1-oxo-2-propen-1-yl]-, 1,1-dimethylethyl Ester

2.3 Create Date

2009-04-14

3 Chemical and Physical Properties

Molecular Formula	C₁₅H₂₆N₂O₃
Molecular Weight	282.38 g/mol
XLogP3	1.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	49.8
Heavy Atom Count	20
Formal Charge	0
Complexity	375
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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Integrin Life Sciences

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CAS Number

1799799-87-3

End Use API

Zanubrutinib

About the Company

Integrin Life Sciences Pvt. Ltd. is one of the growing pharmaceutical API, advanced chemical intermediate...

Integrin Life Sciences Pvt. Ltd. is one of the growing pharmaceutical API, advanced chemical intermediates manufacturing companies in India. Our Plant is Located in Jaggaiahpet APIIC Industrial Estate, Krishna District, Near the National highway from Hyderabad to Vijayawada, from Hyderabad Airport to 200 km. Integrin is Managed by young entrepreneurs having vast experience in various fields like R & D, production, and marketing of active pharmaceutical ingredients. Integrin life sciences in multi Therapeutic SegmentsLike AntiUlcer, AntiPsychotics, Anti Histamines Anti Fungal and AntiDepressants.

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Vidgas Science & Technologies

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Tert-butyl (E)-4-(3-(dimethylamino)acryloyl)piperidine-...

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CAS Number

1799799-87-3

End Use API

Zanubrutinib

About the Company

VIDGAS aims to provide our pharmaceutical, Bio pharma, Agrochemical, Food and Fine chemical customers wit...

VIDGAS aims to provide our pharmaceutical, Bio pharma, Agrochemical, Food and Fine chemical customers with the highest quality SFC and HPLC purification and isolation solutions that market has to offer. With our 25 years of HPLC experience, we are able to provide variety of products with custom tailored answers for even most difficult separations. Our team of professional Chromatographers is available to assist in HPLC and SFC methods development solutions. Here at VIDGAS we are constantly innovating and pursuing the limits of HPLC and SFC.

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