2(1H)-Isoquinolinecarboxylicacid,3,4-dihydro-6-hydroxy-,1,1-dimethylethyl ester

CAS

158984-83-9

Catalog Number

ACM158984839

Category

Other Products

Molecular Weight

249.31

Molecular Formula

C₁₄H₁₉NO₃

MSDS COA Spec Sheet

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Specification

Synonyms

N-Boc-6-hydroxy-3,4-dihydro-isoquinoline; 6-hydroxy-1,2,3,4-tetrahydroisoquinoline-2-carboxylic acid tert-Butyl Ester; 6-Hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester; N-tert-Butoxycarbonyl-6-hydroxy-1,2,3,4-tetrahydroisoquinoline

IUPAC Name

tert-butyl 6-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxylate

Canonical SMILES

CC(C)(C)OC(=O)N1CCC2=C(C1)C=CC(=C2)O

InChI Key

IVHHZZKGSYGTKZ-UHFFFAOYSA-N

Boiling Point

391.4ºC at 760mmHg

Flash Point

190.5ºC

Density

1.17g/cm³

Exact Mass

249.13600

H-Bond Acceptor

H-Bond Donor

Upstream Synthesis Route 1

24424-99-5
59839-23-5

158984-83-9

Reference: [1] Bioorganic and Medicinal Chemistry, 2016, vol. 24, # 4, p. 789 - 801

Upstream Synthesis Route 2

24424-99-5
63905-73-7

158984-83-9

Reference: [1] Journal of Medicinal Chemistry, 2004, vol. 47, # 21, p. 5167 - 5182
[2] Patent: US6525042, 2003, B1,
[3] Patent: WO2011/17561, 2011, A1, . Location in patent: Page/Page column 147-148
[4] Patent: WO2015/34820, 2015, A1, . Location in patent: Page/Page column 44