ChemicalBook--->CAS DataBase List--->42514-50-1

42514-50-1

42514-50-1 Structure

42514-50-1 Structure
IdentificationBack Directory
[Name]

3-AMINO-3-METHYL-BUTAN-1-OL
[CAS]

42514-50-1
[Synonyms]

3-Amino-3-methyl-1-butanol
3-Amino-3-methyl-butan-I-ol
3-AMINO-3-METHYL-BUTAN-1-OL
1-butanol, 3-amino-3-methyl-
1-hydroxy-3-methylbut-3-ylamine
[EINECS(EC#)]

255-865-9
[Molecular Formula]

C5H13NO
[MDL Number]

MFCD09032902
[MOL File]

42514-50-1.mol
[Molecular Weight]

103.163
Chemical PropertiesBack Directory
[Boiling point ]

71 °C(Press: 9 Torr)
[density ]

0.8380 g/cm3
[storage temp. ]

under inert gas (nitrogen or Argon) at 2–8 °C
[pka]

15.42±0.10(Predicted)
[Appearance]

Colorless to light yellow Liquid
Questions And AnswerBack Directory
[Uses]

3-Amino-3-methylbut-1-ol can be used as a pharmaceutical synthesis intermediate.
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H317-H319
[Precautionary statements ]

P411+P235-P280-P305+P351+P338
[RIDADR ]

2735
[HazardClass ]

8
[PackingGroup ]

Ⅲ
Spectrum DetailBack Directory
[Spectrum Detail]

3-AMINO-3-METHYL-BUTAN-1-OL(42514-50-1)1HNMR
Hazard InformationBack Directory
[Synthesis]

1-Butanol, 3-methyl-3-[(phenylmethyl)amino]-

17945-55-0

3-AMINO-3-METHYL-BUTAN-1-OL

42514-50-1

Step 3 Synthesis of 3-amino-3-methyl-1-butanol: 3-benzylamino-3-methyl-1-butanol (3.86 g, 20.0 mmol) was dissolved in ethanol (80 mL) and 10% palladium carbon catalyst (400 mg) was added. The reaction mixture was stirred for 6 hours at room temperature under hydrogen atmosphere (5 kgf/cm2). Upon completion of the reaction, the catalyst was removed by filtration and the filtrate was concentrated under vacuum. The residue was purified by distillation to afford the colorless oily product 3-amino-3-methyl-1-butanol (2.00 g, 97% yield). The structure of the product was confirmed by 1H-NMR (400 MHz, CDCl3): δ1.21 (6H, s), 1.59 (2H, t, J=5.5 Hz), 2.63-2.76 (3H, br), 3.85 (2H, t, J=5.5 Hz).

[References]

[1] Patent: US2007/254866, 2007, A1. Location in patent: Page/Page column 102
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