161810
5-Chloro-2-methylene-1,3,3-trimethylindoline
technical grade, 95%
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About This Item
Empirical Formula (Hill Notation):
C12H14ClN
CAS Number:
Molecular Weight:
207.70
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
EC Number:
229-972-6
MDL number:
Assay:
95%
Form:
liquid
InChI key
VDMXGJJMPKAYQP-UHFFFAOYSA-N
InChI
1S/C12H14ClN/c1-8-12(2,3)10-7-9(13)5-6-11(10)14(8)4/h5-7H,1H2,2-4H3
SMILES string
CN1C(=C)C(C)(C)c2cc(Cl)ccc12
grade
technical grade
assay
95%
form
liquid
refractive index
n20/D 1.594 (lit.)
density
1.083 g/mL at 25 °C (lit.)
functional group
chloro
General description
5-Chloro-2-methylene-1,3,3-trimethylindoline undergoes regiospecific 1,3-dipolar cycloaddition reaction with arylnitriloxydes and N-phenylarylnitrilimines.
Application
5-Chloro-2-methylene-1,3,3-trimethylindoline was used in the synthesis of 5′,6-dichloro-1′,3′,3′-trimethylspiro[2H-1-benzopyran-2,2′-indoline].
signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
Storage Class
10 - Combustible liquids
wgk
WGK 3
flash_point_f
235.4 °F - closed cup
flash_point_c
113 °C - closed cup
ppe
Eyeshields, Gloves, type ABEK (EN14387) respirator filter
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Nameer Alhashimy et al.
Acta crystallographica. Section E, Structure reports online, 64(Pt 8), o1430-o1431 (2008-01-01)
In the crystal structure of the title compound, C(19)H(17)Cl(2)NO, the indoline and benzopyran ring systems are approximately perpendicular to each other. The indoline ring is in an envelope conformation with the spiro C atom as the flap. The N atom
Naoual Laghrib et al.
Acta crystallographica. Section E, Structure reports online, 65(Pt 2), o374-o374 (2009-01-01)
Two diastereoisomers of the title compound, C(25)H(26)N(2)O, have been prepared by cyclo-addition between 1,3,3-trimethyl-2-methyl-eneindoline and C-phenyl-N-phenyl-nitrone. The stereochemistry of the major diastereoisomer, viz. S,R/R,S, is confirmed by the X-ray analysis. The oxazole and the pyrole rings have envelope conformations. The
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