N-Boc-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid

• CAS: 170097-67-3
• Catalog Number: ACM170097673
• Category: Other Products
• Molecular Weight: 277.32
• Molecular Formula: C₁₅H₁₉NO₄
• Synonyms: 3,4-DIHYDRO-1H-ISOQUINOLINE-2,6-DICARBOXYLIC ACID 2-TERT-BUTYL ESTER;2-(TERT-BUTOXYCARBONYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-6-CARBONIC ACID;2-(TERT-BUTOXYCARBONYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-6-CARBOXYLIC ACID;N-BOC-6-HYDROXYCARBONYL-1,2,3,4-TETRAHYDR
• IUPAC Name: 2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-6-carboxylic acid
• Canonical SMILES: CC(C)(C)OC(=O)N1CCC2=C(C1)C=CC(=C2)C(=O)O
• InChI Key: UHOIFEOHBGCPHE-UHFFFAOYSA-N
• Boiling Point: 429.3ºC at 760 mmHg
• Flash Point: 213.4ºC
• Density: 1.221g/cm³
• Exact Mass: 277.13100
• H-Bond Acceptor: 4
• H-Bond Donor: 1

Synthetic Use

Upstream Synthesis Route 1

• 170097-66-2

• 170097-67-3

Reference: [1] Journal of Medicinal Chemistry, 2004, vol. 47, # 21, p. 5167 - 5182
[2] Patent: WO2009/49154, 2009, A1, . Location in patent: Page/Page column 40
[3] Patent: EP3192791, 2017, A1, . Location in patent: Paragraph 0596
[4] European Journal of Medicinal Chemistry, 2019, p. 317 - 333
[5] Patent: WO2006/114313, 2006, A1, . Location in patent: Page/Page column 159

Upstream Synthesis Route 2

• 63905-73-7

• 170097-67-3

Reference: [1] Journal of Medicinal Chemistry, 2004, vol. 47, # 21, p. 5167 - 5182

Upstream Synthesis Route 3

• 158984-83-9

• 170097-67-3

Reference: [1] Journal of Medicinal Chemistry, 2004, vol. 47, # 21, p. 5167 - 5182

Upstream Synthesis Route 4

• 63905-73-7

• 170097-67-3

Reference: [1]Journal of Medicinal Chemistry,2004,vol. 47,p. 5167 - 5182

Downstream Synthesis Route 1

• 1117-97-1
• 170097-67-3

• 371222-34-3

Reference: [1]Patent: WO2008/22979,2008,A1 .Location in patent: Page/Page column 103

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