Banner
Structure

Tert-butyl 5-bromo-3-methyl-1H-indazole-1-carboxylate

CAS
552331-49-4
Catalog Number
ACM552331494-1
Category
Bromine Series

If you have any other questions or need other size, please get a quote.

  • Product Description
  • Case Study
  • Custom Reviews
  • Custom Q&A
  • Synthetic Use
  • Related Resources
What is the molecular formula of tert-butyl 5-bromo-3-methyl-1H-indazole-1-carboxylate?

The molecular formula is C13H15BrN2O2.

What is the molecular weight of tert-butyl 5-bromo-3-methyl-1H-indazole-1-carboxylate?

The molecular weight is 311.17 g/mol.

When was the compound created?

The compound was created on October 30, 2011.

When was the compound last modified?

The compound was last modified on December 2, 2023.

What is the IUPAC name of tert-butyl 5-bromo-3-methyl-1H-indazole-1-carboxylate?

The IUPAC name is tert-butyl 5-bromo-3-methylindazole-1-carboxylate.

What is the InChI of tert-butyl 5-bromo-3-methyl-1H-indazole-1-carboxylate?

The InChI is InChI=1S/C13H15BrN2O2/c1-8-10-7-9(14)5-6-11(10)16(15-8)12(17)18-13(2,3)4/h5-7H,1-4H3.

What is the InChIKey of tert-butyl 5-bromo-3-methyl-1H-indazole-1-carboxylate?

The InChIKey is LPOXPRHHNYSYCQ-UHFFFAOYSA-N.

What is the canonical SMILES of tert-butyl 5-bromo-3-methyl-1H-indazole-1-carboxylate?

The canonical SMILES is CC1=NN(C2=C1C=C(C=C2)Br)C(=O)OC(C)(C)C.

What is the XLogP3-AA value of tert-butyl 5-bromo-3-methyl-1H-indazole-1-carboxylate?

The XLogP3-AA value is 3.9.

What is the hydrogen bond donor count of tert-butyl 5-bromo-3-methyl-1H-indazole-1-carboxylate?

The hydrogen bond donor count is 0.

Upstream Synthesis Route 1

  • 552331-16-5
  • 24424-99-5
  • 552331-49-4

Reference: [1]Patent: US2008/153813,2008,A1 .Location in patent: Page/Page column 24

Downstream Synthesis Route 1

  • 552331-49-4
  • 557-21-1
  • 267875-55-8
  • 1015068-77-5

Reference: [1] Patent: US2008/242694, 2008, A1, . Location in patent: Page/Page column 41

Downstream Synthesis Route 2

  • 552331-49-4
  • 73183-34-3
  • 864770-82-1

Reference: [1] Patent: US2008/153813, 2008, A1, . Location in patent: Page/Page column 24

Downstream Synthesis Route 3

  • 552331-49-4
  • 1093307-29-9

Reference: [1] Patent: WO2008/154241, 2008, A1,

Downstream Synthesis Route 4

  • 552331-49-4
  • 661-69-8
  • 855292-59-0

Reference: [1]Current Patent Assignee: ABBVIE INC - US2005/101602, 2005, A1
Location in patent: Page/Page column 61
[2]Current Patent Assignee: ABBOTT LABORATORIES INC - US2005/137204, 2005, A1
Location in patent: Page/Page column 30
[3]Current Patent Assignee: ABBVIE INC - WO2006/65233, 2006, A1
Location in patent: Page/Page column 71-72
[4]Current Patent Assignee: ABBVIE INC - US2003/199511, 2003, A1
Location in patent: Page/Page column 61

Downstream Synthesis Route 5

  • 552331-49-4
  • 73183-34-3
  • 864770-82-1

Reference: [1]Patent: US2008/153813,2008,A1 .Location in patent: Page/Page column 24

* For details of the synthesis route, please refer to the original source to ensure accuracy.

Alfa Chemistry

For product inquiries, please use our online system or send an email to .

Alfa Chemistry
Inquiry Basket
qrcodex
Download
Verification code
* I hereby give my consent that I may receive marketing e-mails with information on existing and new services from this company. I know that I can opt-out from receiving such e-mails at any time or by using the link which will be provided in each marketing e-mail.