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83857-96-9

83857-96-9 Structure

83857-96-9 Structure
IdentificationMore
[Name]

2-Butyl-4-chloro-5-formylimidazole
[CAS]

83857-96-9
[Synonyms]

2-BUTYL-4(5)-CHLORO-5(4)IMIDAZOLECARBOXALDEHYDE
2-BUTYL-4-CHLORO-1H-IMIDAZOLE-5-CARBALDEHYDE
2-BUTYL-4-CHLORO-1H-IMIDAZOLE-5-CARBOXALDEHYDE
2-BUTYL-4-CHLORO-5-FORMYLIMIDAZLOE
2-BUTYL-4-CHLORO-5-FORMYLIMIDAZOLE
2-BUTYL-4-CHLORO-IMIDAZOLE-5-CARBALDEHYDE
2-BUTYL-5-CHLORO-1H-IMIDAZOLE-4-CARBALDEHYDE
2-BUTYL-5-CHLORO-1H-IMIDAZOLE-4-CARBOXALDEHYDE
2-BUTYL-5-CHLOROIMIDAZOLE-4-CARBOXALDEHYDE
2-N-BUTYL-4(5)-CHLORO-1H-IMIDAZOLE-5(4)-CARBOXALDEHYDE
2-N-BUTYL-4-CHLORO-5-FORMYLIMIDAZOLE
2-N-BUTYL-4-CHLOROIMIDAZOLE-5-CARBOXALDEHYDE
2-N-BUTYL-5-CHLORO-4-FORMYL IMIDAZOLE
2-Butyl-5-chloro-1H-imidazole carboxaldehyde
2-Butyl-4(5)-chloro-5(4)-imidazolecarboxyaldehyde
2-n-butyl-4(5)-Chloro-1H-imdazole-5(4)-carboxaldehyde
2-Butyl-5-chloro-4-formylimidazole
2-Butyl-5-choloro-1H-imidazole-4-carbaldehyde
2-Butyl-4-chloro-5-imidazolecarboxaldehyde
2-Butyl-5-Chloro-1H-Imidagole-4-Carbaldehyde
[EINECS(EC#)]

410-260-0
[Molecular Formula]

C8H11ClN2O
[MDL Number]

MFCD01934396
[Molecular Weight]

186.64
[MOL File]

83857-96-9.mol
Chemical PropertiesBack Directory
[Appearance]

Yellow Solid
[Melting point ]

97-100 °C(lit.)
[Boiling point ]

384.1±22.0 °C(Predicted)
[density ]

1.240
[vapor pressure ]

0.001Pa at 25℃
[storage temp. ]

Inert atmosphere,2-8°C
[solubility ]

slightly soluble
[form ]

neat
[pka]

8.87±0.10(Predicted)
[color ]

Pale Yellow to Brown
[Water Solubility ]

slightly soluble
[Detection Methods]

HPLC,NMR
[InChI]

1S/C8H11ClN2O/c1-2-3-4-7-10-6(5-12)8(9)11-7/h5H,2-4H2,1H3,(H,10,11)
[InChIKey]

JLVIHQCWASNXCK-UHFFFAOYSA-N
[SMILES]

CCCCc1nc(C=O)c(Cl)[nH]1
[LogP]

2.5 at 25℃ and pH7.1
[Surface tension]

58.3mN/m at 1.2g/L and 20℃
[CAS DataBase Reference]

83857-96-9(CAS DataBase Reference)
[EPA Substance Registry System]

83857-96-9(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)Environment (GHS09)
GHS07,GHS09
[Signal word ]

Warning
[Hazard statements ]

H317-H411
[Precautionary statements ]

P261-P272-P273-P280-P302+P352-P333+P313
[Hazard Codes ]

Xi,N
[Risk Statements ]

R43:May cause sensitization by skin contact.
R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
[Safety Statements ]

S24:Avoid contact with skin .
S37:Wear suitable gloves .
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
[RIDADR ]

UN 3077 9/PG 3
[WGK Germany ]

2
[Hazard Note ]

Irritant
[REACH Registrations]

Active
[HazardClass ]

IRRITANT
[PackingGroup ]

III
[HS Code ]

29339900
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Aquatic Chronic 2
Skin Sens. 1A
Hazard InformationBack Directory
[Description]

2-Butyl-4-chloro-5-formylimidazole(83857-96-9) is an API intermediate used as an intermediate for the anti-hypertensive drug Chlosartan. It can be used in the chemical manufacture of many APIs and advanced intermediates. With the help of this chemical, a number of other chemicals can be manufactured that have further applications in industries such as Losartan manufacturing.
[Chemical Properties]

2-Butyl-4-chloro-5-formylimidazole is Yellow Solid
[Uses]

2-Butyl-4-chloro-5-formylimidazole(83857-96-9) is used for preparation of N-(biphenylylmethyl)imidazoles as angiotensin II antagonists
[Application]

2-Butyl-4-chloro-1H-imidazole-5-carboxaldehyde (Losartan EP Impurity D,83857-96-9) is used for preparation of N-(biphenylylmethyl)imidazoles as angiotensin II antagonists. Losartan USP Related Compound A.
[Synthesis Reference(s)]

The Journal of Organic Chemistry, 64, p. 8084, 1999 DOI: 10.1021/jo9824910
[Synthesis]

2-Butyl-4-chloro-5-formylimidazole(83857-96-9) was synthesised as follows: Performing condensation reaction of pentamidine hydrochloride with glyoxal and controlling the pH value of the system in the range of 6.0-7.5; after the reaction terminates, arousing dehydration reaction of the compound of formula III, thereby obtaining 2-butyl-1H-imidazole-5(4H)-ketone; and finally, reacting 2-butyl-1H-imidazole-5(4H)-ketone with N,N-dimethylformamide in the presence of phosphorus oxychloride, thereby obtaining 2-butyl-4-chloro-5-formylimidazole.
[storage]

2-Butyl-4-chloro-5-formylimidazole is soluble in DMF, DMSO, Ethanol and Methanol.
Spectrum DetailBack Directory
[Spectrum Detail]

2-Butyl-4-chloro-5-formylimidazole(83857-96-9)1HNMR
2-Butyl-4-chloro-5-formylimidazole(83857-96-9)IR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

2-Butyl-4-chloro-5-formylimidazole, 99%(83857-96-9)
[Sigma Aldrich]

83857-96-9(sigmaaldrich)
[TCI AMERICA]

2-Butyl-5-chloro-1H-imidazole-4-carboxaldehyde,>98.0%(GC)(83857-96-9)
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