2-(2H3)Methyl(1,1,1-2H3)-3-butyn-2-ol

Modify Date: 2024-01-13 12:17:51

2-(2H3)Methyl(1,1,1-2H3)-3-butyn-2-ol Structure
2-(2H3)Methyl(1,1,1-2H3)-3-butyn-2-ol structure
Common Name 2-(2H3)Methyl(1,1,1-2H3)-3-butyn-2-ol
CAS Number 57444-27-6 Molecular Weight 90.153
Density 0.9±0.1 g/cm3 Boiling Point 104.2±8.0 °C at 760 mmHg
Molecular Formula C5H2D6O Melting Point N/A
MSDS N/A Flash Point 25.0±0.0 °C

 Names

Name 2-methyl-d3-3-butyn-1,1,1-d3-2-ol
Synonym More Synonyms

 Chemical & Physical Properties

Density 0.9±0.1 g/cm3
Boiling Point 104.2±8.0 °C at 760 mmHg
Molecular Formula C5H2D6O
Molecular Weight 90.153
Flash Point 25.0±0.0 °C
Exact Mass 90.095177
PSA 20.23000
LogP 0.32
Vapour Pressure 17.2±0.4 mmHg at 25°C
Index of Refraction 1.444

 Synthetic Route

~%

2-(2H3)Methyl(1,1,1-2H3)-3-butyn-2-ol Structure

2-(2H3)Methyl(1...

CAS#:57444-27-6

Literature: CONCERT PHARMACEUTICALS, INC.; HARBESON, Scott, L.; TUNG, Roger, D.; LIU, Julie, F. Patent: WO2011/11712 A1, 2011 ; Location in patent: Page/Page column 41-42 ; WO 2011/011712 A1

~42%

2-(2H3)Methyl(1,1,1-2H3)-3-butyn-2-ol Structure

2-(2H3)Methyl(1...

CAS#:57444-27-6

Literature: Wadsworth, Alan H.; Lawrie, Kenneth W. M. Journal of Labelled Compounds and Radiopharmaceuticals, 2007 , vol. 50, # 5-6 p. 473 - 474

~%

2-(2H3)Methyl(1,1,1-2H3)-3-butyn-2-ol Structure

2-(2H3)Methyl(1...

CAS#:57444-27-6

Literature: Pasto, Daniel J.; Warren, Steven E. Journal of Organic Chemistry, 1981 , vol. 46, # 14 p. 2842 - 2846

~56%

2-(2H3)Methyl(1,1,1-2H3)-3-butyn-2-ol Structure

2-(2H3)Methyl(1...

CAS#:57444-27-6

Literature: Kolbe, Adelheid; Fuchs, Petra; Porzel, Andrea; Baumeister, Ute; Kolbe, Alfred; Adam, Guenter Journal of the Chemical Society. Perkin Transactions 1, 2002 , # 17 p. 2022 - 2027

~%

2-(2H3)Methyl(1,1,1-2H3)-3-butyn-2-ol Structure

2-(2H3)Methyl(1...

CAS#:57444-27-6

Literature: Wadsworth, Alan H.; Lawrie, Kenneth W. M. Journal of Labelled Compounds and Radiopharmaceuticals, 2007 , vol. 50, # 5-6 p. 473 - 474

~%

2-(2H3)Methyl(1,1,1-2H3)-3-butyn-2-ol Structure

2-(2H3)Methyl(1...

CAS#:57444-27-6

Literature: Stanjek, Volker; Miksch, Martin; Boland, Wilhelm Tetrahedron, 1997 , vol. 53, # 52 p. 17699 - 17710

 Synonyms

3-Butyn-1,1,1-d-2-ol, 2-(methyl-d)-
2-(H)Methyl(1,1,1-H)-3-butyn-2-ol
2-(H)Methyl(1,1,1-H)but-3-yn-2-ol
1,1,1-trideuterio-2-trideuteriomethyl-but-3-yn-2-ol
PT-4