4-(4-Chlorophenyl)butanicacid
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4-(4-Chlorophenyl)butanicacid
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CAS No:
4619-18-5
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Formula:
C10H11ClO2
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Chemical Name:
4-(4-Chlorophenyl)butanicacid
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Synonyms:
4-(4-Chlorophenyl)butanicacid;Benzenebutanoicacid,4-chloro-;4-(4-CHLORO-PHENYL)-BUTYRICACID;4-(4-chlorophenyl)butanoicacid(SALTDATA:FREE)
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CAS No:
Safety Information
P264, P270, P280, P301+P312, P305+P351+P338, P310, P330, P501
H302
|Danger|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P280, P301+P312, P305+P351+P338, P310, P330, and P501|Aggregated GHS information provided by 40 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
4-(4-Chlorophenyl)butanicacid Use and Manufacturing
4-(p-chlorophenyl)butanoic acid (34a) A mixture of 4-(4-chlorophenyl)4-oxobutanoic acid (1 eq.), KOH (3 eq.) and hydrazine hydrate (2.2 eq.) in ethylene glycol was refluxed azeotropically at 120-130° C. for 5 hours, the temperature was increased gradually to 180° C. Heating under reflux was then continued at 190° C. for 3 hours. The reaction mixture was cooled to 25° C., diluted with water and poured into a solution 2.5N HCl to give white crystals of 4-(4-chlorophenyl)butanoic acid (89percent).4-(4-Chlorophenyl)butanoic acid: 4-(4-Chlorophenyl)-4-oxobutanoic acid (1.06 g, 5 mmol) and KOH (85percent by wt, 0.79 g, 12 mmol) were placed in a round-bottomed flask fitted with a Dean-Stark apparatus and a reflux condenser and suspended in diethylene glycol (10 mL) at RT. Then, hydrazine monohydrate (50percent by wt., 1.20 g, 12 mmol) was added slowly to the reaction at RT after which it was heated to 120- 130 °C for 2 h. The reaction became homogenous after heating for approximately 45 min. After 2 h, the temperature was increased to 180-200 °C and the reaction stirred for an additional 3 h to remove residual hydrazine and water via the Dean-Stark trap. The reaction was then cooled to RT, diluted with HA heterogeneous mixture of 3-(4-chlorobenzoyl)-propionic acid (20 g, 188.1 mmol), potassium hydroxide (11.7 g, 208.7 mmol), hydrazine monohydrate (10 mL, 205.1 mmol), and diethylene glycol (84 mL) were heated in a flask equipped with a Dean-Stark trap and condenser. The mixture became homogeneous on heating. The mixture maintained at 120-1304-(p-chlorophenyl)butanoic acid (35a).
Computed Properties
Molecular Weight:198.64
XLogP3:3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:198.0447573
Monoisotopic Mass:198.0447573
Topological Polar Surface Area:37.3
Heavy Atom Count:13
Complexity:162
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes