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CAS Number: 114747-45-4
1,3,3-trimethyl-6'-(piperidin-1-yl)spiro[indoline-2,3'-naphtho[2,1-b][1,4]oxazine]

Structure

1,3,3-trimethyl-6'-(piperidin-1-yl)spiro[indoline-2,3'-naphtho[2,1-b][1,4]oxazine]
Name: 1,3,3-trimethyl-6'-(piperidin-1-yl)spiro[indoline-2,3'-naphtho[2,1-b][1,4]oxazine]
Synonyms:
General Information
Product Number: 114747454

CAS Registry Number 114747-45-4
Name:
Spiro[2H-​indole-​2,​3'-​[3H]​naphth[2,​1-​b]​[1,​4]​oxazine]​, 1,​3-​dihydro-​1,​3,​3-​trimethyl-​6'-​(1-​piperidinyl)​-
1,3,3-Trimethyl-6'-(1-piperidinyl)spiroindolinenaphthooxazine
1,3,3-Trimethylindolino-6'-(1-piperidinyl)spironaphthooxazine
1,3,3-Trimethylindolino-6'-(1-piperidinyl)spironaphthoxazine
Technocolor Purple 3

 

Chemical Formula: C27H29N3O
Exact Mass: 411.23
Molecular Weight: 411.54
m/z: 411.23 (100.0%), 412.23 (30.3%), 413.24 (4.4%)

 

InChI: InChI=1S/C27H29N3O/c1-26(2)21-13-7-8-14-22(21)29(3)27(26)18-28-25-20-12-6-5-11-19(20)23(17-24(25)31-27)30-15-9-4-10-16-30/h5-8,11-14,17-18H,4,9-10,15-16H2,1-3H3
InChIKey: YAWJWXXKKHOMQT-UHFFFAOYSA-N
Canonical SMILES : CC1(C2=CC=CC=C2N(C13C=NC4=C(O3)C=C(C5=CC=CC=C54)N6CCCCC6)C)C

 

Thermal Properties Value Condition Note
Melting Point 230-232 °C   (4)IC
Melting Point 228-230 °C   (3)CAS
Melting Point See full text   (5)CAS

Specification

98%

References
  1. (3) Pang, Mei-Li; Synthesis 2010, (20), P3418-3422 CAPLUS
  2. (4) Rickwood, Martin; EP 245020 A2 1987 CAPLUS
  3. (5) Koshkin, A. V.; Synthesis 2005, (11), P1876-1880 CAPLUS
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