ChemicalBook--->CAS DataBase List--->1014645-87-4

1014645-87-4

1014645-87-4 Structure

1014645-87-4 Structure
IdentificationBack Directory
[Name]

Benzoic acid, 4-(1-aminocyclopropyl)-, methyl ester, hydrochloride (1:1)
[CAS]

1014645-87-4
[Synonyms]

Methyl 4-(1-aminocyclopropyl)
Benzoic acid, 4-(1-aminocyclopropyl)-, methyl ester, HCl (1:1)
Benzoic acid, 4-(1-aminocyclopropyl)-, methyl ester, hydrochloride
Benzoic acid, 4-(1-aminocyclopropyl)-, methyl ester, hydrochloride (1:1)
Benzoic acid, 4-(1-aminocyclopropyl)-, methyl ester, hydrochloride (1:1)/4-(1-Aminocyclopropyl)benzoic acid methyl ester hydrochloride
[Molecular Formula]

C11H14ClNO2
[MDL Number]

MFCD11616336
[MOL File]

1014645-87-4.mol
[Molecular Weight]

227.687
Chemical PropertiesBack Directory
[storage temp. ]

under inert gas (nitrogen or Argon) at 2-8°C
[Appearance]

Off-white to light brown Solid
Safety DataBack Directory
[Symbol(GHS) ]

Corrosion (GHS05)Skull and Crossbones (GHS06)
GHS05,GHS06
[Signal word ]

Danger
[Hazard statements ]

H301-H314
[Precautionary statements ]

P501-P260-P270-P264-P280-P303+P361+P353-P301+P330+P331-P363-P301+P310+P330-P304+P340+P310-P305+P351+P338+P310-P405
Spectrum DetailBack Directory
[Spectrum Detail]

Benzoic acid, 4-(1-aminocyclopropyl)-, methyl ester, hydrochloride (1:1)(1014645-87-4)1HNMR
Hazard InformationBack Directory
[Synthesis]

Benzoic acid, 4-(1-aminocyclopropyl)-, methyl ester

1006037-03-1

Benzoic acid, 4-(1-aminocyclopropyl)-, methyl ester, hydrochloride (1:1)

1014645-87-4

Step 2: Methyl 4-(1-aminocyclopropyl)benzoate (1.63 g, 8.5 mmol) was dissolved in ethyl acetate (10 mL), and 2.0 M ether solution of hydrogen chloride (6.0 mL, 12 mmol) was slowly added. The reaction mixture was stirred at room temperature for several minutes and then concentrated under reduced pressure to remove the solvent to give methyl 4-(1-aminocyclopropyl)benzoate hydrochloride as a light brown solid in quantitative yield.

[References]

[1] Patent: WO2012/39972, 2012, A1. Location in patent: Page/Page column 39
[2] Journal of Organic Chemistry, 2010, vol. 75, # 12, p. 4078 - 4085
[3] Patent: WO2012/76063, 2012, A1. Location in patent: Page/Page column 39
[4] Patent: US2013/261100, 2013, A1. Location in patent: Paragraph 0273-0274; 02796
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