2,4-Dimethyl-3-ethyl-1H-pyrrole

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Names

[ CAS No. ]:
517-22-6

[ Name ]:
2,4-Dimethyl-3-ethyl-1H-pyrrole

[Synonym ]:
MFCD00005222
Kryptopyrrole
Cryptopyrrole
EINECS 208-234-7
3-Ethyl-2,4-dimethyl-1H-pyrrole
2,4-Dimethyl-3-ethylpyrrole
3-Ethyl-2,4-diMethylpyrrole

Chemical & Physical Properties

[ Density]:
0.913 g/mL at 25 °C(lit.)

[ Boiling Point ]:
197 °C710 mm Hg(lit.)

[ Molecular Formula ]:
C₈H₁₃N

[ Molecular Weight ]:
123.19600

[ Flash Point ]:
161 °F

[ Exact Mass ]:
123.10500

[ PSA ]:
15.79000

[ LogP ]:
2.19390

[ Index of Refraction ]:
n20/D 1.496(lit.)

[ Storage condition ]:
0-6°C

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: UX9629500

CHEMICAL NAME :: Pyrrole, 3-ethyl-2,4-dimethyl-

CAS REGISTRY NUMBER :: 517-22-6

BEILSTEIN REFERENCE NO. :: 0107089

LAST UPDATED :: 199709

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C8-H13-N

MOLECULAR WEIGHT :: 123.22

WISWESSER LINE NOTATION :: T5MJ B1 C2 D1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 77 mg/kg

TOXIC EFFECTS :: Brain and Coverings - recordings from specific areas of CNS Behavioral - somnolence (general depressed activity) Behavioral - changes in motor activity (specific assay)

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: 11,1251,1968

Safety Information

[ Hazard Codes ]:
Xi:Irritant;

[ Risk Phrases ]:
R36/37/38

[ Safety Phrases ]:
S26-S36-S37/39

[ WGK Germany ]:
3

[ RTECS ]:
UX9629500

[ HS Code ]:
2933990090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

3-Acetyl-2,4-dimethylpyrrole
Ethyl 4-Ethyl-3,5-Dimethyl-1h-Pyrrole-2-Carboxylic
3-acetyl-2,4-dimethyl-5-carbethoxypyrrole
Ethanone, 1-(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)- (9CI)
2,4-Pentandione
4-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid
3-Ethyl-2,4-pentanedione
bilirubin
Etioporphyrin III

DownStream

Ethanone, 1-(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)- (9CI)
ETIOPORPHYRIN I
mono-methyl_terephthalate
4-(4,4'-diethyl-3-3',5,5'-tetramethyldipyrromethene)benzoic acid methyl ester
Ethyl 4-Ethyl-3,5-Dimethyl-1h-Pyrrole-2-Carboxylic
2,8,12,18-Tetraethyl-3,7,13,17-tetramethyl-21H,23H-porphyrin
Ethanone, 2-chloro-1-(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)- (9CI)
3-ethyl-2,4-dimethyl-pyrrolidine
1H-Pyrrole-2-carboxaldehyde, 4-ethyl-3,5-dimethyl-
3-ethyl-2,4-dimethyl-1,2-dihydropyrrol-5-one

Customs

[ HS Code ]: 2933990090

[ Summary ]:
2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Related Compounds

2,4-dimethyl-3-ethyl-1H-pyrrole
Ethyl 4-Ethyl-3,5-Dimethyl-1h-Pyrrole-2-Carboxylic
benzyl 4-ethyl-3,5-dimethylpyrrole-2-carboxylate
2,5-Dimethyl-3-ethyl-1H-pyrrole
2,4-DIMETHYL-3-(CARBETHOXY PROPYL)-PYRROLE-5-CARBOXYLIC ACID
2,4-dimethyl-3,5-bis(trifluoromethylsulfanyl)-1H-pyrrole
N-(4-(tert-butyl)phenyl)-4-(pyrazin-2-yloxy)piperidine-1-carboxamide
N-(2-ethoxyphenyl)-4-(pyrazin-2-yloxy)piperidine-1-carboxamide
N-(4-methoxybenzyl)-4-(pyrazin-2-yloxy)piperidine-1-carboxamide
4-(pyrazin-2-yloxy)-N-(2-(trifluoromethyl)phenyl)piperidine-1-carboxamide
Thiazolo[4,5-b]pyridine-7-carboxylic acid,2-(acetylamino)-5-phenyl-,ethyl ester
N-benzhydryl-4-(pyrazin-2-yloxy)piperidine-1-carboxamide
N-ethyl-4-(pyrazin-2-yloxy)piperidine-1-carboxamide
2-((1-(Methylsulfonyl)piperidin-4-yl)oxy)pyrazine
2-((1-((4-Bromophenyl)sulfonyl)piperidin-4-yl)oxy)pyrazine
Thiazolo[4,5-b]pyridine-7-carboxylic acid,2-amino-5-phenyl-,ethyl ester

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