Beijing Mesochem Technology

CAS 1256387-87-7

Chemistry, 2 End Use API, 20 Related Intermediates

Manufacturers/Suppliers

2 Suppliers

2 Suppliers

Also known as: 1256387-87-7, (1r,3s,4s)-2-tert-butyl-3-(6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1h-benzo[d]imidazol-2-yl)-2-azabicyclo[2.2.1]heptane-2-carboxylate, (2-((1r,3s,4s)-2-(tert-butoxycarbonyl)-2-azabicyclo[2.2.1]heptan-3-yl)-1h-benzo[d]imidazol-6-yl)boronic acid pinacol ester, Tert-butyl (1r,3s,4s)-3-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1h-benzimidazol-2-yl]-2-azabicyclo[2.2.1]heptane-2-carboxylate, Schembl2707680, Cs-m3581

Molecular Formula

C₂₄H₃₄BN₃O₄

Molecular Weight

439.4 g/mol

InChI Key

MYPUONINDNZBTH-GMBSWORKSA-N

1 2D Structure

CAS 1256387-87-7

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

tert-butyl (1R,3S,4S)-3-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzimidazol-2-yl]-2-azabicyclo[2.2.1]heptane-2-carboxylate

2.1.2 InChI

InChI=1S/C24H34BN3O4/c1-22(2,3)30-21(29)28-16-10-8-14(12-16)19(28)20-26-17-11-9-15(13-18(17)27-20)25-31-23(4,5)24(6,7)32-25/h9,11,13-14,16,19H,8,10,12H2,1-7H3,(H,26,27)/t14-,16+,19-/m0/s1

2.1.3 InChI Key

MYPUONINDNZBTH-GMBSWORKSA-N

2.1.4 Canonical SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)N=C(N3)C4C5CCC(C5)N4C(=O)OC(C)(C)C

2.1.5 Isomeric SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)N=C(N3)[C@@H]4[C@H]5CC[C@H](C5)N4C(=O)OC(C)(C)C

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1256387-87-7

2. (1r,3s,4s)-2-tert-butyl-3-(6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1h-benzo[d]imidazol-2-yl)-2-azabicyclo[2.2.1]heptane-2-carboxylate

3. (2-((1r,3s,4s)-2-(tert-butoxycarbonyl)-2-azabicyclo[2.2.1]heptan-3-yl)-1h-benzo[d]imidazol-6-yl)boronic Acid Pinacol Ester

4. Tert-butyl (1r,3s,4s)-3-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1h-benzimidazol-2-yl]-2-azabicyclo[2.2.1]heptane-2-carboxylate

5. Schembl2707680

6. Cs-m3581

7. Mfcd28386938

8. Akos027254314

9. Akos032949634

10. Zinc203685402

11. 2-azabicyclo[2.2.1]heptane-2-carboxylic Acid, 3-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1h-benzimidazol-2-yl]-, 1,1-dimethylethyl Ester, (1r,3s,4s)-

12. Ac-28974

13. Ds-10372

14. Tert-butyl (1s,2s,4r)-2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1h-benzimidazol-2-yl]-3-azabicyclo[2.2.1]heptane-3-carboxylate

15. F30001

16. 1h-benzo[d]imidazol-2-yl)-2-azabicyclo[2.2.1]heptane-2-carboxylate

17. (1r,3s,4s)-tert-butyl3-(6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-

18. (1r,3s,4s)-tert-butyl3-(6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1h-benzo[d]imidazol-2-yl)-2-azabicyclo[2.2.1]heptane-2-carboxylate

19. Tert-butyl (1r,3s,4s)-3-[6-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1h-1,3-benzodiazol-2-yl]-2-azabicyclo[2.2.1]heptane-2-carboxylate

2.3 Create Date

2012-11-30

3 Chemical and Physical Properties

Molecular Formula	C₂₄H₃₄BN₃O₄
Molecular Weight	439.4 g/mol
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	439.2642367 g/mol
Monoisotopic Mass	439.2642367 g/mol
Topological Polar Surface Area	76.7 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	738
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
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

China

Virtual Booth

Digital Content

(S)-5-(tert-Butoxycarbonyl)-5-azaspiro[2.4]heptane-6-ca...

PDF Supplier PDF

URL Supplier Web Content

CAS Number

CAS-1129634-44-1

End Use API

Ledipasvir

About the Company

Beijing Mesochem Technology Co. Ltd., which is located in the national economic and technological develop...

Beijing Mesochem Technology Co. Ltd., which is located in the national economic and technological development area of Yizhuang, China, manufactures pharmaceutical chemicals, fine chemicals and fundamental chemical materials. It has an efficient research and development team. Beijing Mesochem provides its customers customized development, craft optimization, contract customization and outsourcing services. The company has a well-established industrial base in Weinan, Shanxi Province. The production base features a 20,000 ㎡ plant with a production capacity of over 8,000 MT per year.

ASK
US