1,2(1H)-Isoquinolinedicarboxylicacid,3,4-dihydro-,2-(1,1-dimethylethyl)ester

• CAS: 166591-85-1
• Catalog Number: ACM166591851
• Category: Other Products
• Molecular Weight: 277.318
• Molecular Formula: C₁₅H₁₉NO₄
• Synonyms: 2-(tert-butoxycarbonyl)-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid;REF DUPL: 2-N-Boc-1,2,3,4-Tetrahydro-isoquinoline-1-carboxylic acid
• IUPAC Name: 2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
• Canonical SMILES: CC(C)(C)OC(=O)N1CCC2=CC=CC=C2C1C(=O)O
• InChI Key: KMTRFKAFNRHBCH-UHFFFAOYSA-N
• Boiling Point: 436.7ºC at 760 mmHg
• Flash Point: 217.9ºC
• Density: 1.222g/cm³
• Exact Mass: 277.13100
• H-Bond Acceptor: 4
• H-Bond Donor: 1

Synthetic Use

Upstream Synthesis Route 1

• 41034-52-0
• 24424-99-5

• 166591-85-1

Reference: [1] Patent: WO2015/94902, 2015, A1, . Location in patent: Page/Page column 22

Upstream Synthesis Route 2

• 486-73-7

• 166591-85-1

Reference: [1] European Journal of Medicinal Chemistry, 2001, vol. 36, # 3, p. 265 - 286
[2] Journal of Medicinal Chemistry, 1993, vol. 36, # 3, p. 314 - 319

Upstream Synthesis Route 3

• 124-38-9
• 1359987-43-1

• 166591-85-1

Reference: [1] Journal of Organic Chemistry, 2012, vol. 77, # 5, p. 2159 - 2168

Upstream Synthesis Route 4

• 41034-52-0
• 24424-99-5

• 166591-85-1

Reference: [1]Patent: WO2015/94902,2015,A1 .Location in patent: Page/Page column 22

Downstream Synthesis Route 1

• 166591-85-1
• 87-62-7

• 439287-50-0

Reference: [1]European Journal of Medicinal Chemistry,2001,vol. 36,p. 265 - 286

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