2,2,2-Cryptand

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Names

[ CAS No. ]:
23978-09-8

[ Name ]:
2,2,2-Cryptand

[Synonym ]:
Crypt-2,2,2
Cryptand 2.2.2
Cryptate 222
cryptating agent 222
Ligand 222
Kryptofix 222(R)
Kryptand 222
EINECS 245-962-4
Kryptofix Merck 222
[2.2.2]Cryptand
2.2.2-Kryptofix(R)
Cryptofix 222
MFCD00005111
kryptofix(R)2.2.2
Cryptand C 222
4,7,13,16,21,24-Hexaoxa-1,10-diazabicyclo(8.8.8)hexacosane
4,7,13,16,21,24-Hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane
Kriptofix 222
Cryptand 222
4,7,13,16,21, 24-Hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane
Kryptofix 222

Chemical & Physical Properties

[ Density]:
1.1±0.1 g/cm3

[ Boiling Point ]:
513.1±45.0 °C at 760 mmHg

[ Melting Point ]:
68-71 °C(lit.)

[ Molecular Formula ]:
C18H36N2O6

[ Molecular Weight ]:
376.488

[ Flash Point ]:
144.2±25.9 °C

[ Exact Mass ]:
376.257324

[ PSA ]:
61.86000

[ LogP ]:
-1.34

[ Vapour Pressure ]:
0.0±1.3 mmHg at 25°C

[ Index of Refraction ]:
1.503

[ Storage condition ]:
2-8°C

[ Water Solubility ]:
soluble

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
MP4750000
CHEMICAL NAME :
4,7,13,16,21,24-Hexaoxa-1,10-diazabicyclo-(8,8,8)-hex acosane
CAS REGISTRY NUMBER :
23978-09-8
LAST UPDATED :
199612
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C18-H36-N2-O6
MOLECULAR WEIGHT :
376.56
WISWESSER LINE NOTATION :
T-18--18- A B C D E F G H CO FO IN LO OO RN UO A&OTJ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
110 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 41,113,1977
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
35 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 41,113,1977
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
153 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 41,113,1977
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
32 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 41,113,1977

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H315-H319-H335

[ Precautionary Statements ]:
P305 + P351 + P338

[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Gloves

[ Hazard Codes ]:
Xn:Harmful;

[ Risk Phrases ]:
R22;R36/37/38

[ Safety Phrases ]:
S26-S36-S36/37/39

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
3

[ RTECS ]:
MP4750000

[ HS Code ]:
2934999090

Synthetic Route

Precursor & DownStream

Precursor

  • mono(1,10-dimethyl-4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane-1,10-diium) monoiodide
  • 2-[2-(2-hydroxyethoxy)ethoxy]ethanol,methanesulfonic acid
  • 1,4,10,13-TETRAOXA-7,16-DIAZACYCLOOCTADECANE
  • Cryptofix 221
  • Iodo-PEG3-Iodide
  • ethylene glycol bis(2-aminoethyl) ether
  • Triethylene glycol bis(p-toluenesulfonate)
  • 1,10-diaza-4,7,13,16-tetraoxacyclooctadeca-2,9-dione
  • 4,7,13,16,21,24-hexaoxa-1,10-diaza-bicyclo[8.8.8]hexacosane-2,9-dione

DownStream

  • 4,7,13,18-tetraoxa-1,10-diazabicyclo[8.5.5]icosane
  • Ethyl 3-ethoxy-cis-crotonate
  • ETHYL 3-ETHOXYBUT-2-ENOATE
  • ethyl 2,2-diethylacetoacetate
  • Ethyl 2-ethyl-3-oxobutanoate
  • Kryptand 222B
  • 4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane, silver(I) salt
  • 5,6,14,15-dibenzo-4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane

Customs

[ HS Code ]: 2934999090

[ Summary ]:
2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Articles

Rapid synthesis of a 5'-fluorinated oligodeoxy-nucleotide: a model antisense probe for use in imaging with positron emission tomography (PET).

Bioorg. Med. Chem. Lett. 8(11) , 1317-20, (1998)

5'-Deoxy-5'-fluoro-O4-methylthymidine was synthesized by the reaction of the corresponding 5'-O-tosylate with KF in the presence of Kryptofix [222] and coupled to a 5'-phosphoramidite-activated CPG-bo...

Simultaneous analysis of FDG, ClDG and Kryptofix 2.2.2 in [18F]FDG preparation by high-performance liquid chromatography with UV detection.

Nucl. Med. Biol. 35(2) , 239-44, (2008)

A practical, sensitive and rapid analytical method was established and validated for chemical impurity tests of 2-deoxy-2-fluoro-d-glucose (FDG), 2-deoxy-2-chloro-d-glucose (ClDG) and Kryptofix 2.2.2 ...

Transport of alkali cations through thin lipid membranes by (222)C10-cryptand, an ionizable mobile carrier.

J. Membr. Biol. 89(3) , 251-67, (1986)

The kinetics of K+ and Na+ transport across the membrane of large unilamellar vesicles (L.U.V.) were compared at two pH's, with two carriers: (222)C10-cryptand (diaza-1,10-decyl-5-hexaoxa-4,7,13,16,21...


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