Methyl 7-aminoheptanoate
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Methyl 7-aminoheptanoate
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CAS No:
17994-94-4
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Formula:
C8H17NO2
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Chemical Name:
Methyl 7-aminoheptanoate
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Synonyms:
Methyl 7-aminoheptanoate;7-AMINOHEPTANOICMETHYLESTER;Methyl 7-aminoheptanoate hydrochloride7-Amino-heptanoic acid methyl ester hydrochloride;Methyl 7-aminoheptanoate HCl;7-Amino-heptanoic acid methyl ester;CHEMPACIFIC 38337;(7-methoxy-7-oxoheptyl)azanium;Heptanoic acid,7-amino-, methyl ester, hydrochloride (1:1)
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CAS No:
Safety Information
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
|Warning|H303 (50%): May be harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Methyl 7-aminoheptanoate Use and Manufacturing
Thionyl chloride (1.81 ml, 24.8 mmol) was added dropwise with stirring to a cold suspension of 4 (1.8 g., 12.4 mmol) in methanol (30 ml.) at a rate so as to maintain the reaction temperature between -5 °C and -10 °C. After addition of all the thionyl chloride, the mixture was allowed to warm to room temperature and was left to stir overnight. The mixture was then concentrated in vacuo to give a white solid which was triturated in ether (twice) to yield 2.38 g of 7-aminoheptanoic acid, methyl ester, hydrochloride (1:1) 5 as a white solid (4.8g, 100 percent).Synthesis of Intermediate 5:Thionyl chloride (1.81 ml, 24.8 mmol) was added dropwise with stirring to a cold suspension of 4 (1.8 g., 12.4 mmol) in methanol (30 ml.) at a rate so as to maintain the reaction temperature between -5 °C and -10 °C. After addition of all the thionyl chloride, the mixture was allowed to warm to room temperature and was left to stir overnight. The mixture was then concentrated in vacuo to give a white solid which was triturated in ether (twice) to yield 2.38 g of 7-aminoheptanoic acid, methyl ester, hydrochloride (1 : 1) 5 as a white solid (4.8g, 100 percent).
7-Aminoheptanoic Acid Methyl Ester is used in the synthesis of the antidepressant drug Amineptine (A634280).
Computed Properties
Molecular Weight:195.69
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:7
Exact Mass:195.1026065
Monoisotopic Mass:195.1026065
Topological Polar Surface Area:52.3
Heavy Atom Count:12
Complexity:104
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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