3,5-Pyridinedicarboxylicacid, 1,4-dihydro-2,6-dimethyl-4-(phenylmethyl)-, 3,5-diethyl ester

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Names

[ CAS No. ]:
1539-57-7

[ Name ]:
3,5-Pyridinedicarboxylicacid, 1,4-dihydro-2,6-dimethyl-4-(phenylmethyl)-, 3,5-diethyl ester

[Synonym ]:
3,5-Pyridinedicarboxylic acid,1,4-dihydro-4-benzyl-2,6-dimethyl-,diethyl ester
Diethyl 4-benzyl-2,6-dimethyl-1,4-dihydro-3,5-pyridine-dicarboxylate
4-Benzyl-2,6-dimethyl-1,4-dihydro-pyridin-3,5-dicarbonsaeure-diaethylester
Isocinchomeronic acid,1,4-dihydro-4-benzyl-2,6-dimethyl-,diethyl ester
diethyl 2,6-dimethyl-4-benzyl-1,4-dihydropyridine-3,5-dicarboxylate
4-benzyl-2,6-dimethyl-1,4-dihydro-pyridine-3,5-dicarboxylic acid diethyl ester
3,5-Pyridinedicarboxylic acid,4-benzyl-1,4-dihydro-2,6-dimethyl-,diethyl ester

Chemical & Physical Properties

[ Density]:
1.116g/cm3

[ Boiling Point ]:
460.3ºC at 760mmHg

[ Molecular Formula ]:
C20H25NO4

[ Molecular Weight ]:
343.41700

[ Flash Point ]:
232.2ºC

[ Exact Mass ]:
343.17800

[ PSA ]:
64.63000

[ LogP ]:
3.45150

[ Vapour Pressure ]:
1.18E-08mmHg at 25°C

[ Index of Refraction ]:
1.532

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
US7968000
CHEMICAL NAME :
3,5-Pyridinedicarboxylic acid, 4-benzyl-1,4-dihydro-2,6-dimethyl-, diethyl ester
CAS REGISTRY NUMBER :
1539-57-7
BEILSTEIN REFERENCE NO. :
0315717
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C20-H25-N-O4
MOLECULAR WEIGHT :
343.46
WISWESSER LINE NOTATION :
T6M DHJ B1 CVO2 D1R& EVO2 F1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
320 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#01365

Safety Information

[ HS Code ]:
2933399090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Phenylacetaldehyde
  • Ethyl acetoacetate
  • Ethyl (2Z)-3-amino-2-butenoate
  • 2-benzyl-4,4,6-trimethyltetrahydro-(2H)-1,3-oxazine
  • Urea
  • ethyl 3-aminocrotonate

DownStream

  • 3,5-Diethoxycarbonyl-2,6-dimethylpyridine
  • Benzaldehyde
  • Benzyl alcohol
  • benzoic acid
  • (1-Furan-2-yl-2-phenyl-ethyl)-(4-methoxy-phenyl)-amine

Customs

[ HS Code ]: 2933399090

[ Summary ]:
2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Related Compounds

  • 1-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl) 7-(9H-fluoren-9-yl)methyl 7-azabicyclo[2.2.1]heptane-1,7-dicarboxylate
  • 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 2-methyl-1,1-dioxo-1lambda6,2-thiazolidine-5-carboxylate
  • rac-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl (3R,4R)-4-phenyloxane-3-carboxylate
  • 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 5-butyl-2-methylfuran-3-carboxylate
  • 2-tert-butyl 6-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl) 2-azabicyclo[2.2.2]oct-7-ene-2,6-dicarboxylate
  • rac-1-tert-butyl 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl) (1R,2R)-cyclopropane-1,2-dicarboxylate
  • 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 5-(difluoromethyl)-1-phenyl-1H-1,2,3-triazole-4-carboxylate
  • 3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl) 1-(9H-fluoren-9-yl)methyl 6-methylpiperidine-1,3-dicarboxylate
  • 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 2-[1-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)cyclopropyl]acetate
  • 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 3-[1-(ethoxymethyl)-3,5-dimethyl-1H-pyrazol-4-yl]-2-methylpropanoate
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