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| CAS No.: | 764-52-3 |
|---|---|
| Name: | TRIFLUOROMETHIONINE |
| Molecular Structure: | |
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| Formula: | C5H8F3NO2S |
| Molecular Weight: | 203.185 |
| Synonyms: | Butyricacid, 2-amino-4-[(trifluoromethyl)thio]- (6CI,7CI);Butyric acid,2-amino-4-[(trifluoromethyl)thio]-, (S)- (8CI);Trifluoro-L-methionine;Trifluoromethionine; |
| Density: | 1.45 g/cm3 |
| Melting Point: | 227-228 °C(Solv: water (7732-18-5); methanol (67-56-1)) |
| Boiling Point: | 260.6 °C at 760 mmHg |
| Flash Point: | 111.4 °C |
| PSA: | 88.62000 |
| LogP: | 1.74170 |
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- 90221-55-92-bromo-5-methylbenzaldehyde
- 885590-99-82,3-DIFLUORO-4-IODOBENZALDEHYDE
- 97730-31-9(S)-4'-(2-Methylbutyl)Biphenyl-4-Carbonitrile
- 626-72-2, 870-93-9, 6027-15-2, 7093-69-8, 462-10-2
L-homocystine
- 2314-97-8
iodotrifluoromethane
- 764-52-3
(S)-2-amino-4-(trifluoromethylthio)butanoic
| Conditions | Yield |
|---|---|
| Stage #1: L-homocystine With ammonia; sodium at -78 - 35℃; Birch Reduction; Inert atmosphere; Stage #2: iodotrifluoromethane at -78℃; for 0.333333h; | 93% |
| Stage #1: L-homocystine With sodium In ammonia at -78℃; liquid NH3; Stage #2: iodotrifluoromethane In ammonia at -78℃; for 0.333333h; liquid NH3; | 93% |
- 764-52-3
(S)-2-amino-4-(trifluoromethylthio)butanoic
| Conditions | Yield |
|---|---|
| With pig liver acylase pH=7.2; | 26% |
- 943925-89-1
(S)-2-amino-N-phenyl-4-(trifluoromethylthio)butanamide hydrochloride
A
- 62-53-3
aniline
B
- 764-52-3
(S)-2-amino-4-(trifluoromethylthio)butanoic
| Conditions | Yield |
|---|---|
| With pyridoxal 5'-phosphate; water at 37℃; for 2h; Enzymatic reaction; |
- 82911-69-1
N-(9H-fluoren-2-ylmethoxycarbonyloxy)succinimide
- 764-52-3
(S)-2-amino-4-(trifluoromethylthio)butanoic
| Conditions | Yield |
|---|---|
| With sodium hydrogencarbonate In water; acetone | 94% |
- 1445869-56-6
C25H26N2O2
- 6018-89-9
nickel(II) acetate tetrahydrate
- 764-52-3
(S)-2-amino-4-(trifluoromethylthio)butanoic
| Conditions | Yield |
|---|---|
| With potassium carbonate In ethanol at 60 - 70℃; | 90% |
- 24424-99-5
di-tert-butyl dicarbonate
- 764-52-3
(S)-2-amino-4-(trifluoromethylthio)butanoic
- 201870-90-8
N-Boc-S-trifluoromethyl-L-homocysteine
| Conditions | Yield |
|---|---|
| With triethylamine In tetrahydrofuran; water at 0℃; | 85% |
| With sodium hydroxide In 1,4-dioxane at 20℃; for 27h; Cooling with ice; | 39% |
- 764-52-3
(S)-2-amino-4-(trifluoromethylthio)butanoic
- 143673-81-8
For-homoCys(S-CF3)-Leu-Phe-OH
| Conditions | Yield |
|---|---|
| Multi-step reaction with 4 steps 1: 85 percent / NEt3 / tetrahydrofuran; H2O / 0 °C 2: 55 percent / HOBt, DCC / CH2Cl2; dimethylformamide / 0 deg C, 1 h, 23 deg C, 12 h 3: 2.) N-ethoxycarbonyl-2-ethoxy-1,2-dihydroquinoline / 1.) 23 deg C, 3 h, 2.) CHCl3, 23 deg C, 3 h 4: 95 percent / aq. NaOH / dioxane / 0 - 23 °C View Scheme |
- 764-52-3
(S)-2-amino-4-(trifluoromethylthio)butanoic
- 201870-94-2
(S)-2-[(S)-2-((S)-2-Formylamino-4-trifluoromethylsulfanyl-butyrylamino)-4-methyl-pentanoylamino]-3-phenyl-propionic acid methyl ester
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: 85 percent / NEt3 / tetrahydrofuran; H2O / 0 °C 2: 55 percent / HOBt, DCC / CH2Cl2; dimethylformamide / 0 deg C, 1 h, 23 deg C, 12 h 3: 2.) N-ethoxycarbonyl-2-ethoxy-1,2-dihydroquinoline / 1.) 23 deg C, 3 h, 2.) CHCl3, 23 deg C, 3 h View Scheme |
- 764-52-3
(S)-2-amino-4-(trifluoromethylthio)butanoic
- 201870-92-0
(S)-2-[(S)-2-((S)-2-tert-Butoxycarbonylamino-4-trifluoromethylsulfanyl-butyrylamino)-4-methyl-pentanoylamino]-3-phenyl-propionic acid methyl ester
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: 85 percent / NEt3 / tetrahydrofuran; H2O / 0 °C 2: 55 percent / HOBt, DCC / CH2Cl2; dimethylformamide / 0 deg C, 1 h, 23 deg C, 12 h View Scheme |
- 764-52-3
(S)-2-amino-4-(trifluoromethylthio)butanoic
A
- 600-18-0
2-Oxobutyric acid
B
- 1493-15-8
trifluoromethylsulfide
| Conditions | Yield |
|---|---|
| With 5,5'-dithiobis-(2-nitrobenzoic acid); recombinant Entamoeba histolytica L-methionine γ-lyase 2; pyridoxal 5'-phosphate; water at 37℃; pH=7.2; Kinetics; Reagent/catalyst; Time; aq. phosphate buffer; Enzymatic reaction; |
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Specification
The L-Homocysteine,S-(trifluoromethyl)- is an organic compound with the formula C5H8F3NO2S. The systematic name of this chemical is trifluoro-L-methionine. With the CAS registry number 764-52-3, it is also named as S-Trifluoromethyl-L-homocysteine.
Physical properties about L-Homocysteine,S-(trifluoromethyl)- are: (1)ACD/LogP: 1.55; (2)ACD/LogD (pH 5.5): -0.94; (3)ACD/LogD (pH 7.4): -0.96; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 54.84 Å2; (12)Index of Refraction: 1.464; (13)Molar Refractivity: 38.72 cm3; (14)Molar Volume: 140.1 cm3; (15)Polarizability: 15.35×10-24cm3; (16)Surface Tension: 40.5 dyne/cm; (17)Density: 1.45 g/cm3; (18)Flash Point: 111.4 °C; (19)Enthalpy of Vaporization: 54.85 kJ/mol; (20)Boiling Point: 260.6 °C at 760 mmHg; (21)Vapour Pressure: 0.00362 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)SCC[C@H](N)C(=O)O
(2)InChI: InChI=1/C5H8F3NO2S/c6-5(7,8)12-2-1-3(9)4(10)11/h3H,1-2,9H2,(H,10,11)/t3-/m0/s1
(3)InChIKey: YLJLTSVBCXYTQK-VKHMYHEABD
(4)Std. InChI: InChI=1S/C5H8F3NO2S/c6-5(7,8)12-2-1-3(9)4(10)11/h3H,1-2,9H2,(H,10,11)/t3-/m0/s1
(5)Std. InChIKey: YLJLTSVBCXYTQK-VKHMYHEASA-N