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L-tert-Leucine methyl ester hydrochloride

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Name

L-tert-Leucine methyl ester hydrochloride

EINECS 613-136-6
CAS No. 63038-27-7 Density N/A
PSA 52.32000 LogP 2.03510
Solubility N/A Melting Point 183-186 °C
Formula C7H15NO2.ClH Boiling Point 206.8 °C at 760 mmHg
Molecular Weight 181.663 Flash Point 78.9 °C
Transport Information N/A Appearance White to off-white powder
Safety 24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 63038-27-7 (L-TERT-LEUCINE METHYL ESTER HYDROCHLORIDE) Hazard Symbols N/A
Synonyms

L-Valine,3-methyl-, methyl ester, hydrochloride (9CI);L-tert-Leucine methyl esterhydrochloride;Methyl (2S)-2-amino-3,3-dimethylbutanoate hydrochloride;

Article Data 17

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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
With thionyl chloride at 40℃;52%
20859-02-3

L-tert-Leucine

63038-27-7

L-tert-leucine methyl ester hydrochloride

Conditions
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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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