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Merck
CN

658723

Sigma-Aldrich

Boc-1-tert-butoxy-1,2-dihydroisoquinoline

95%

Synonym(s):

1-tert-Butoxy-2-butoxycarbonyl-1,2-dihydroisoquinoline, BBDI

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About This Item

Empirical Formula (Hill Notation):
C18H25NO3
CAS Number:
404586-94-3
Molecular Weight:
303.40
MDL number:
MFCD08276797
UNSPSC Code:
12352100
PubChem Substance ID:
24884372
NACRES:
NA.22

Key Documents

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Assay

95%

mp

112-116 °C

SMILES string

CC(C)(C)OC1N(C=Cc2ccccc12)C(=O)OC(C)(C)C

InChI

1S/C18H25NO3/c1-17(2,3)21-15-14-10-8-7-9-13(14)11-12-19(15)16(20)22-18(4,5)6/h7-12,15H,1-6H3

InChI key

RKFZTABXZXYIOJ-UHFFFAOYSA-N

Application

A versatile tert-butoxycarbonylation protecting reagent for a variety of acidic substrates including phenols, amine hydrochlorides, carboxylic acids, N-protected amino acids, thiols, sulfonamides, and imides.

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H302

Hazard Classifications

Acute Tox. 4 Oral

Storage Class Code

13 - Non Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
05421LD

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Saito, Y. et al
Tetrahedron, 62, 11599-11599 (2006)

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