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| CAS No.: | 63038-27-7 |
|---|---|
| Name: | L-TERT-LEUCINE METHYL ESTER HYDROCHLORIDE |
| Article Data: | 17 |
| Cas Database | |
| Molecular Structure: | |
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| Formula: | C7H15NO2.ClH |
| Molecular Weight: | 181.663 |
| Synonyms: | L-Valine,3-methyl-, methyl ester, hydrochloride (9CI);L-tert-Leucine methyl esterhydrochloride;Methyl (2S)-2-amino-3,3-dimethylbutanoate hydrochloride; |
| EINECS: | 613-136-6 |
| Melting Point: | 183-186 °C |
| Boiling Point: | 206.8 °C at 760 mmHg |
| Flash Point: | 78.9 °C |
| Appearance: | White to off-white powder |
| Safety: | 24/25 |
| PSA: | 52.32000 |
| LogP: | 2.03510 |
- 63038-44-8Poly[imino[(1R)-1-(2-methylpropyl)-2-oxo-1,2-ethanediyl]](9CI)
- 630386-06-02-Thiophenecarboxamide, 5-chloro-N-[(1R,2S)-2-[[4-[1-(1-pyrrolidinylmethyl)cyclopropyl]benzoyl]amino]cyclopentyl]-
- 6303-88-41H-Carbazole,2,3,4,9-tetrahydro-9-methyl-
- 63039-46-3(R)-N-Boc-Propargylglycine
- 63039-47-4Magnesium,bromo(2,5-dimethoxyphenyl)-
- 63039-48-54-Pentynoicacid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-, (2S)-
- 63039-49-6Boc-Pra-OH?DCHA
- 6303-99-7Propanoic acid,3-(2-aminophenoxy)-
- 630399-84-7Cyclopropanebutanoicacid, b-oxo-, ethyl ester
- 6304-01-4Benzenepropanoic acid, 4-(2-oxiranyl)-, methyl ester
| Conditions | Yield |
|---|---|
| With thionyl chloride at 0 - 20℃; | 100% |
| With thionyl chloride for 16h; Reflux; | 100% |
| With hydrogenchloride Ambient temperature; | 98% |
- 67-56-1
methanol
- 62965-35-9
N-tert-butyloxycarbonyl-L-tert-leucine
- 63038-27-7
L-tert-leucine methyl ester hydrochloride
| Conditions | Yield |
|---|---|
| With thionyl chloride at 0 - 80℃; for 8h; Inert atmosphere; | 76% |
| With thionyl chloride at 80℃; for 8h; | 76% |
| With thionyl chloride at 20℃; Cooling; |
- 67-56-1
methanol
- 63038-27-7
L-tert-leucine methyl ester hydrochloride
| Conditions | Yield |
|---|---|
| With thionyl chloride at 40℃; | 52% |
- 20859-02-3
L-tert-Leucine
- 63038-27-7
L-tert-leucine methyl ester hydrochloride
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: 1) 0.5N NaOH / 1) dioxane, 16 h, RT, 2) ether 2: 52 percent / SOCl2 / 40 °C View Scheme |
- 75158-11-1
2-<(S)-α-methylbenzylamino>-3,3,dimethylbutyramide
- 63038-27-7
L-tert-leucine methyl ester hydrochloride
| Conditions | Yield |
|---|---|
| Multi-step reaction with 4 steps 1: 80 percent / hydrogen / 10percent Pd/C / acetic acid; methanol / 760 Torr / Ambient temperature 2: 35 percent / MnCl2*4H2O, 1N NaOH, leucine aminopeptidase / H2O / 40 h / 37 °C 3: 1) 0.5N NaOH / 1) dioxane, 16 h, RT, 2) ether 4: 52 percent / SOCl2 / 40 °C View Scheme |
- 630-19-3
pivalaldehyde
- 63038-27-7
L-tert-leucine methyl ester hydrochloride
| Conditions | Yield |
|---|---|
| Multi-step reaction with 7 steps 1: diethyl ether / -10 °C 2: 75 percent / ethanol 3: 81 percent / H2SO4 4: 80 percent / hydrogen / 10percent Pd/C / acetic acid; methanol / 760 Torr / Ambient temperature 5: 35 percent / MnCl2*4H2O, 1N NaOH, leucine aminopeptidase / H2O / 40 h / 37 °C 6: 1) 0.5N NaOH / 1) dioxane, 16 h, RT, 2) ether 7: 52 percent / SOCl2 / 40 °C View Scheme |
- 33978-37-9
1-<(S)-α-methylbenzylimino>-2,2-dimethylpropane
- 63038-27-7
L-tert-leucine methyl ester hydrochloride
| Conditions | Yield |
|---|---|
| Multi-step reaction with 6 steps 1: 75 percent / ethanol 2: 81 percent / H2SO4 3: 80 percent / hydrogen / 10percent Pd/C / acetic acid; methanol / 760 Torr / Ambient temperature 4: 35 percent / MnCl2*4H2O, 1N NaOH, leucine aminopeptidase / H2O / 40 h / 37 °C 5: 1) 0.5N NaOH / 1) dioxane, 16 h, RT, 2) ether 6: 52 percent / SOCl2 / 40 °C View Scheme |
- 63038-27-7
L-tert-leucine methyl ester hydrochloride
| Conditions | Yield |
|---|---|
| Multi-step reaction with 5 steps 1: 81 percent / H2SO4 2: 80 percent / hydrogen / 10percent Pd/C / acetic acid; methanol / 760 Torr / Ambient temperature 3: 35 percent / MnCl2*4H2O, 1N NaOH, leucine aminopeptidase / H2O / 40 h / 37 °C 4: 1) 0.5N NaOH / 1) dioxane, 16 h, RT, 2) ether 5: 52 percent / SOCl2 / 40 °C View Scheme |
- 63038-27-7
L-tert-leucine methyl ester hydrochloride
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: 35 percent / MnCl2*4H2O, 1N NaOH, leucine aminopeptidase / H2O / 40 h / 37 °C 2: 1) 0.5N NaOH / 1) dioxane, 16 h, RT, 2) ether 3: 52 percent / SOCl2 / 40 °C View Scheme |
- 67-56-1
methanol
- 139163-43-2
(S)-2-amino-3,3-dimethylbutanoic acid hydrochloride
- 63038-27-7
L-tert-leucine methyl ester hydrochloride
| Conditions | Yield |
|---|---|
| With thionyl chloride at -10 - 20℃; for 16h; |
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Specification
The CAS registry number of L-tert-Leucine methyl ester hydrochloride is 63038-27-7. The IUPAC name is methyl 3-methyl-L-valinate hydrochloride. In addition, the molecular formula is C7H15NO2.ClH and the molecular weight is 181.66. It is a kind of white to off-white powder and belongs to the classes of API Intermediates; Amino Acid Methyl Esters; Amino Acids; Amino Acids (C-Protected); Biochemistry; Leucine Derivatives; Peptide Synthesis; Unnatural Amino Acid. This chemical has no harm for the water usually. But you can not put this material into surroundings if without government permission. What's more, it should be stored in sealed container, and put them in a cool and dry place. The storage place must stay away from oxidant.
Physical properties about L-tert-Leucine methyl ester hydrochloride are: (1)ACD/LogP: 0.74; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 29.54 Å2; (7)Flash Point: 78.9 °C; (8)Enthalpy of Vaporization: 45.21 kJ/mol; (9)Boiling Point: 206.8 °C at 760 mmHg; (10)Vapour Pressure: 0.195 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cl.O=C(OC)[C@@H](N)C(C)(C)C
(2)InChI: InChI=1/C7H15NO2.ClH/c1-7(2,3)5(8)6(9)10-4;/h5H,8H2,1-4H3;1H/t5-;/m1./s1
(3)InChIKey: HRTQWUHFSXVRPY-NUBCRITNBM