Tert-butyl 6-bromo-3,4-dihydroisoquinoline-2(1H)-carboxylate

• CAS: 893566-74-0
• Catalog Number: ACM893566740
• Category: Bromine Series

Custom Q&A

What is the molecular formula of tert-butyl 6-bromo-3,4-dihydroisoquinoline-2(1H)-carboxylate?

The molecular formula is C14H18BrNO2.

What is the molecular weight of tert-butyl 6-bromo-3,4-dihydroisoquinoline-2(1H)-carboxylate?

The molecular weight is 312.20 g/mol.

What is the IUPAC name of tert-butyl 6-bromo-3,4-dihydroisoquinoline-2(1H)-carboxylate?

The IUPAC name is tert-butyl 6-bromo-3,4-dihydro-1H-isoquinoline-2-carboxylate.

What is the InChI of tert-butyl 6-bromo-3,4-dihydroisoquinoline-2(1H)-carboxylate?

The InChI is InChI=1S/C14H18BrNO2/c1-14(2,3)18-13(17)16-7-6-10-8-12(15)5-4-11(10)9-16/h4-5,8H,6-7,9H2,1-3H3.

What is the InChIKey of tert-butyl 6-bromo-3,4-dihydroisoquinoline-2(1H)-carboxylate?

The InChIKey is SZIPGDGOBMFCEH-UHFFFAOYSA-N.

What is the Canonical SMILES of tert-butyl 6-bromo-3,4-dihydroisoquinoline-2(1H)-carboxylate?

The Canonical SMILES is CC(C)(C)OC(=O)N1CCC2=C(C1)C=CC(=C2)Br.

What is the CAS number of tert-butyl 6-bromo-3,4-dihydroisoquinoline-2(1H)-carboxylate?

The CAS number is 893566-74-0.

What is the European Community (EC) Number of tert-butyl 6-bromo-3,4-dihydroisoquinoline-2(1H)-carboxylate?

The EC Number is 832-016-6.

What is the DSSTox Substance ID of tert-butyl 6-bromo-3,4-dihydroisoquinoline-2(1H)-carboxylate?

The DSSTox Substance ID is DTXSID50678319.

Is tert-butyl 6-bromo-3,4-dihydroisoquinoline-2(1H)-carboxylate classified as a compound with a defined atom stereocenter count?

No, it is not classified as a compound with a defined atom stereocenter count.

Synthetic Use

Upstream Synthesis Route 1

• 226942-29-6
• 24424-99-5
• 75416-51-2

• 893566-75-1
• 893566-74-0

Reference: [1] Patent: US2008/171754, 2008, A1, . Location in patent: Page/Page column 101; 102

Upstream Synthesis Route 2

• 226942-29-6
• 24424-99-5

• 893566-74-0

Reference: [1] Patent: EP3192791, 2017, A1, . Location in patent: Paragraph 0594

Upstream Synthesis Route 3

• 226942-29-6
• 24424-99-5
• 75416-51-2

• 893566-75-1
• 893566-74-0

Reference: [1]Patent: US2008/171754,2008,A1 .Location in patent: Page/Page column 101; 102

Downstream Synthesis Route 1

• 893566-74-0

• 170097-67-3

Reference: [1] Patent: EP3192791, 2017, A1,

Downstream Synthesis Route 2

• 893566-74-0

• 1008517-84-7

Reference: [1]Current Patent Assignee: C.H. Boehringer Sohn AG & Co. KG - WO2008/22979, 2008, A1
Location in patent: Page/Page column 85
[2]Current Patent Assignee: C.H. Boehringer Sohn AG & Co. KG - WO2009/103478, 2009, A1
Location in patent: Page/Page column 64

Downstream Synthesis Route 3

• 893566-75-1
• 893566-74-0
• 73183-34-3

• 893566-72-8
• 893566-73-9

Reference: [1]Patent: US2008/171754,2008,A1 .Location in patent: Page/Page column 102

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