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Name L-tert-Leucine methyl ester hydrochloride
EINECS613-136-6
CAS No. 63038-27-7
DensityN/A
PSA52.32000
LogP2.03510
SolubilityN/A
Melting Point183-186 °C
FormulaC₇H₁₅NO₂.ClH
Boiling Point206.8 °C at 760 mmHg
Molecular Weight181.663
Flash Point78.9 °C
Transport InformationN/A
AppearanceWhite to off-white powder
Safety24/25
Risk CodesN/A
Molecular Structure
Hazard SymbolsN/A
SynonymsN/A
Article Data17

L-tert-Leucine methyl ester hydrochloride Synthetic route

: 67-56-1
methanol

: 20859-02-3
L-tert-Leucine

: 63038-27-7
L-tert-leucine methyl ester hydrochloride

Conditions

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

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

: t-butoxycarbonyl-L-t-butylglycine dicyclohexylamine salt

: 63038-27-7
L-tert-leucine methyl ester hydrochloride

Conditions

Conditions	Yield
With thionyl chloride at 40℃;	52%

: 20859-02-3
L-tert-Leucine

: 63038-27-7
L-tert-leucine methyl ester hydrochloride

Conditions

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

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

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

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

: 2-<(S)-α-methylbenzylamino>-3,3-dimethylbutyronitrile

: 63038-27-7
L-tert-leucine methyl ester hydrochloride

Conditions

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

: (S)-2-amino-3,3-dimethylbutanamide hydrochloride

: 63038-27-7
L-tert-leucine methyl ester hydrochloride

Conditions

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

Conditions	Yield
With thionyl chloride at -10 - 20℃; for 16h;

L-tert-Leucine methyl ester hydrochloride 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

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L-tert-Leucine methyl ester hydrochloride

L-tert-Leucine methyl ester hydrochloride Synthetic route

L-tert-Leucine methyl ester hydrochloride Specification

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