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Home > Encyclopedia > Methyl 7-aminoheptanoate

Methyl 7-aminoheptanoate

Methyl 7-aminoheptanoate structure

Methyl 7-aminoheptanoate 

structure
  • CAS No:

    17994-94-4

  • Formula:

    C8H17NO2

  • Chemical Name:

    Methyl 7-aminoheptanoate

  • 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)

  • Categories:

    Pharmaceutical Intermediates  >  Analgesics

Methyl 7-aminoheptanoate Basic Attributes

159.23

159.125931

1592732-453-0

DTXSID50550101

2922499990

Characteristics

52.3

0.9±0.1 g/cm3

119-121℃

80.7±20.1 °C

1.442

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

Methods of 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).

Uses

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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