4'-Aminobenzo-18-crown-6

CAS

68941-06-0

Catalog Number

ACM68941060

Category

Other Products

Molecular Weight

327.37

Molecular Formula

C₁₆H₂₅NO₆

MSDS COA Spec Sheet

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Specification

Synonyms

4-Aminobenzo-18-crown-6, ST50412057, 68941-06-0, 2,3,5,6,8,9,11,12,14,15-decahydro-1,4,7,10,13,16-benzohexaoxacyclooctadecin-18-amine, ZINC03896099, AC1MC5P8, 4-Aminobenzo-18-crown-6;, 06913_FLUKA, CTK8F5770, MolPort-000-255-216, (Benzo-18-crown-6)-4-ylamine, STL089790, AKOS001586895, AG-G-67352, MCULE-5192639564, FT-0617555, 4 inverted exclamation marka-Aminobenzo-18-crown-6, I01-19033, (Benzo-18-crown-6)-4 inverted exclamation marka-ylamine, 2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-amine

IUPAC Name

2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-amine

Canonical SMILES

C1COCCOCCOC2=C(C=CC(=C2)N)OCCOCCO1

InChI Key

PZXYILUXRGTFGD-UHFFFAOYSA-N

Boiling Point

511.9ºC at 760 mmHg

Melting Point

53 - 56ºC

Flash Point

284.1ºC

Density

1.099g/cm³

Appearance

yellowish crystal

Exact Mass

327.16800

Hazard Statements

Xi: Irritant;

H-Bond Acceptor

H-Bond Donor

Safety Description

S26-S36

Upstream Synthesis Route 1

53408-96-1

68941-06-0

Reference: [1]Dykes, Graham M.; Smith, David K.
[Tetrahedron, 2003, vol. 59, # 22, p. 3999 - 4009]

Upstream Synthesis Route 2

14098-24-9

68941-06-0

Reference: [1]Chemistry - A European Journal,2017,vol. 23,p. 563 - 567

Downstream Synthesis Route 1

75-44-5
68941-06-0

83935-63-1

Reference: [1]Agai, B.; Bitter, I.; Csongor, E.; Toeke, L.
[Acta Chimica Academiae Scientiarum Hungaricae, 1982, vol. 110, # 1, p. 25 - 28]
[2]Toeke, Laszlo; Bitter, Istvan; Agai, Bela; Csongor, Eva; Toth, Klara; et al.
[Liebigs Annalen der Chemie, 1988, p. 349 - 354]

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

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