1-Naphthaleneacetonitrile,a,a-bis[2-[bis(3-methyl-2-buten-1-yl)amino]ethyl]-

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Names

[ CAS No. ]:
50765-82-7

[ Name ]:
1-Naphthaleneacetonitrile,a,a-bis[2-[bis(3-methyl-2-buten-1-yl)amino]ethyl]-

Chemical & Physical Properties

[ Density]:
0.982g/cm3

[ Boiling Point ]:
644.4ºC at 760 mmHg

[ Molecular Formula ]:
C36H51N3

[ Molecular Weight ]:
525.81000

[ Flash Point ]:
252.6ºC

[ Exact Mass ]:
525.40800

[ PSA ]:
30.27000

[ LogP ]:
8.85018

[ Index of Refraction ]:
1.553

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
QJ1365000
CHEMICAL NAME :
1-Naphthaleneacetonitrile, alpha,alpha-bis(2-(bis(3-methyl-2-butenyl)amino)ethyl )-
CAS REGISTRY NUMBER :
50765-82-7
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C36-H51-N3
MOLECULAR WEIGHT :
525.90
WISWESSER LINE NOTATION :
L66J BXCN&2N2UY1&1&2UY1&1&2N2UY1&1&2UY1&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>800 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 16,720,1973
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
283 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 16,720,1973

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 1-Diprenylamino-2-hydroxyaethan
  • 3,3-Dimethylallyl bromide
  • 1-Naphthylacetonitrile
  • (-)-4-aza-3-oxa-4-benzyl-2-spiro(1',3'-dithiane-[1'S,3'S]-1',3'-dioxo)-[5R,9S]-bicyclo[3.3.0] octane
  • 1-Naphthaleneacetonitrile, alpha-(2-(bis(3-methyl-2-butenyl)amino)ethyl)-

DownStream

  • α,α-Bis[2-[bis(3-methyl-2-butenyl)amino]ethyl]-1-naphthaleneacetamide

Related Compounds

  • tert-butyl N-[4-(2-bromoethyl)-2-methylphenyl]carbamate
  • rac-3-[(1R,3R)-3-(2,2,2-trifluoroacetamido)cyclohexyl]propanoic acid
  • 4-(Propan-2-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxylic acid
  • (3S)-3-cyclohexyl-3-(2,2,2-trifluoroacetamido)propanoic acid
  • tert-butyl N-{4-[2-(1-aminocyclopropyl)ethyl]-2-methylphenyl}carbamate
  • benzyl N-(4,5-dicyano-1H-imidazol-2-yl)carbamate
  • benzyl N-[(5-cyanothiophen-2-yl)methyl]carbamate
  • tert-butyl N-{2-[(1R)-1-aminoethyl]-5-bromophenyl}carbamate
  • tert-butyl N-{2-[(1S)-1-aminoethyl]-5-bromophenyl}carbamate
  • 6-(2,2,2-trifluoroacetamido)-1H-1,3-benzodiazole-5-carboxylic acid
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