L-tert-Leucine methyl ester hydrochloride supplier

Name
L-TERT-LEUCINE METHYL ESTER HYDROCHLORIDE
EINECS 613-136-6
CAS No. 63038-27-7
Article Data17
CAS DataBase
Density
Solubility
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
Appearance White to off-white powder
Safety 24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms L-Valine,3-methyl-, methyl ester, hydrochloride (9CI);L-tert-Leucine methyl esterhydrochloride;Methyl (2S)-2-amino-3,3-dimethylbutanoate hydrochloride;
PSA 52.32000
LogP 2.03510

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;

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

: 7693-46-1
4-Nitrophenyl chloroformate

: 854755-78-5
methyl (2S)-3,3-dimethyl-2-{[(4-nitrophenoxy)carbonyl]amino}butanoate

Conditions

Conditions	Yield
With 4-methyl-morpholine In dichloromethane at 25℃; for 64h;	100%

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

: 79-04-9
chloroacetyl chloride

: 854746-00-2
methyl (2S)-2-[(chloroacetyl)amino]-3,3-dimethylbutanoate

Conditions

Conditions	Yield
With potassium carbonate In water; ethyl acetate at 25℃; for 4h;	100%

: 611212-55-6
(R)-3-benzyloxycarbonyl-2-pentylpropanoic acid

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

: 1035610-03-7
N-[(R)-3-benzyloxycarbonyl-2-pentylpropanoyl]-L-tert-leucine methyl ester

Conditions

Conditions	Yield
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃; for 2h;	100%

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

: 67-64-1
acetone

: 1312680-06-0
methyl (S)-2-(isopropylamino)-3,3-dimethylbutanoate hydrochloride

Conditions

Conditions	Yield
With 4-methyl-morpholine; palladium 10% on activated carbon; hydrogen In methanol at 20℃; under 3000.3 Torr; for 12h; Inert atmosphere; chemoselective reaction;	100%

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

: 407-25-0
trifluoroacetic anhydride

: C9H14F3NO3

Conditions

Conditions	Yield
With triethylamine In dichloromethane at -78℃; for 3h; Inert atmosphere;	100%

: 3262-72-4
(S)-N-(tert-butoxycarbonyl)serine

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

: Boc-Ser-Tle-OMe

Conditions

Conditions	Yield
Stage #1: L-tert-leucine methyl ester hydrochloride With sodium carbonate In dichloromethane; water at 20℃; for 0.0833333h; Stage #2: (S)-N-(tert-butoxycarbonyl)serine With C12H6B2Br4O3 In 1,2-dichloro-ethane at 90℃; for 24h; chemoselective reaction;	97%

: sodium tetrachloropalladate(II)

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

: trans-[methyl-(L)-tert-leucinate]2PdCl2

Conditions

Conditions	Yield
With sodium acetate In water under Ar or N2, Pd-complex was added to mixt. of 2 equiv. of amino-acidand 2 equiv. of NaOOCCH3, 1 h; ppt. was filtered off, dried in high vac.;	90%

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

: 471-25-0
Propiolic acid

: 1259216-71-1
C10H15NO3

Conditions

Conditions	Yield
Stage #1: L-tert-leucine methyl ester hydrochloride; Propiolic acid With N-ethyl-N,N-diisopropylamine; diisopropyl-carbodiimide In dichloromethane at 0 - 23℃; for 16.16h; Inert atmosphere; Stage #2: With water; ammonium chloride In dichloromethane	90%

: 16948-16-6
N-(tert-butoxycarbonyl)-N-methyl-L-alanine

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

: 876623-92-6
(S)-methyl 2-((S)-2-((tert-butoxycarbonyl)(methyl)amino)propanamido)-3,3-dimethylbutanoate

Conditions

Conditions	Yield
With benzotriazol-1-ol; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide In tetrahydrofuran at 20℃; for 18h;	90%

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

: 72324-39-1
5-acetyl-2,2-dimethyl-1,3-dioxane-4,6-dione

: methyl 3,3-dimethyl-2-(3-oxobutanamido)butanoate

Conditions

Conditions	Yield
With triethylamine In 1,4-dioxane at 110℃; for 4h;	88%

: 1-(5-fluoro-4-hydroxypentyl)-1H-indole-3-carboxylic acid

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

: methyl (2S)-2-(1-(5-fluoro-4-hydroxypentyl)-1H-indole-3-carboxamido)-3,3-dimethylbutanoate

Conditions

Conditions	Yield
Stage #1: 1-(5-fluoro-4-hydroxypentyl)-1H-indole-3-carboxylic acid With O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate; triethylamine In acetonitrile at 20℃; for 0.5h; Stage #2: L-tert-leucine methyl ester hydrochloride In acetonitrile at 20℃; for 48h;	87%

: 854745-42-9
9H-fluoren-9-ylmethyl (1-methyl-1H-benzimidazol-2-yl)methyl(2-oxoethyl)carbamate

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

: 854755-70-7
tert-butyl (2S)-2-[(2-{[(9H-fluoren-9-ylmethoxy)carbonyl][(1-methyl-1H-benzimidazol-2-yl)methyl]amino}ethyl)amino]-3,3-dimethylbutanoate

Conditions

Conditions	Yield
Stage #1: 9H-fluoren-9-ylmethyl (1-methyl-1H-benzimidazol-2-yl)methyl(2-oxoethyl)carbamate; L-tert-leucine methyl ester hydrochloride With sodium cyanoborohydride; acetic acid In methanol at 25℃; for 3.5h; Stage #2: With water In methanol; ethyl acetate	83%

: 854745-42-9
9H-fluoren-9-ylmethyl (1-methyl-1H-benzimidazol-2-yl)methyl(2-oxoethyl)carbamate

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

: 854745-43-0
Methyl (2S)-2-[(2-{[(9H-fluoren-9-ylmethoxy)carbonyl][(1-methyl-1H-benzimidazol-2-yl)methyl]amino}ethyl)amino]-3,3-dimethylbutanoate

Conditions

Conditions	Yield
With sodium cyanoborohydride In methanol; acetic acid at 25℃; for 3.5h;	83%
With sodium cyanoborohydride; acetic acid In methanol at 25℃; for 3.5h;	83%
With sodium cyanoborohydride; acetic acid In methanol at 25℃; for 3.5h;	83%

: 15761-39-4
1-(tert-butoxycarbonyl)-L-proline

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

: 125769-55-3
(2S)-tert-butyl 2S-((2S)-1-(methoxycarbonyl)-2,2-dimethylpropylcarbamoyl)pyrrolidine-1-carboxylate

Conditions

Conditions	Yield
Stage #1: 1-(tert-butoxycarbonyl)-L-proline; L-tert-leucine methyl ester hydrochloride With triethylamine In tetrahydrofuran at 0℃; for 0.5h; Stage #2: With dmap; dicyclohexyl-carbodiimide In tetrahydrofuran at 0 - 20℃; for 17h;	82.2%
Stage #1: 1-(tert-butoxycarbonyl)-L-proline In tetrahydrofuran; butan-1-ol at 0℃; for 0.166667h; Stage #2: L-tert-leucine methyl ester hydrochloride With triethylamine; dicyclohexyl-carbodiimide In tetrahydrofuran; butan-1-ol at 20℃; for 25h;	58%

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

: 136-72-1
piperic acid

: methyl (S)-2-((2E,4E)-5-(benzo[d][1,3]dioxol-5-yl)penta-2,4-dienamido)-3,3-dimethylbutanoate

Conditions

Conditions	Yield
With 4-methyl-morpholine; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 0 - 20℃; for 16h;	82%

: 669002-29-3
4'-(methyloxy)-3-nitro-4-biphenylcarboxylic acid

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

: 887243-26-7
C21H24N2O6

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine; HATU In N,N-dimethyl-formamide at 20℃;	81%

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

: 814-68-6
acryloyl chloride

: 904927-42-0
(S)-N-1-methoxycarbonyl-1-tert-butylmethyl-acrylamide

Conditions

Conditions	Yield
With triethylamine In dichloromethane at 20℃; for 4h;	80%

: 1-pentyl-1H-indazole-3-carboxylic acid

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

: MDMB-PINACA

Conditions

Conditions	Yield
With benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate; N-ethyl-N,N-diisopropylamine In dimethyl sulfoxide at 0 - 20℃; for 2h;	76%

: 911410-81-6
(2E,4E)-4-(benzo[d][1,3]dioxol-5-ylmethylene)hex-2-enoic acid

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

: methyl (S)-2-((2E,4E)-4-(benzo[d][1,3]dioxol-5-ylmethylene)hex-2-enamido)-3,3-dimethylbutanoate

Conditions

Conditions	Yield
With 4-methyl-morpholine; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 0 - 20℃; for 16h;	75%

: 75-44-5
phosgene

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

: 144164-32-9
methyl 3-methyl-N-(oxomethylene)-L-valinate

Conditions

Conditions	Yield
With pyridine In dichloromethane; toluene at 0℃; for 1.5h;	74%
With pyridine In dichloromethane; toluene at 0℃; for 2h;

: 821-41-0
5-Hexen-1-ol

: 764-59-0
hex-5-en-1-al

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

: 1000063-68-2
methyl N-hex-5-en-1-yl-3-methyl-L-valinate

Conditions

Conditions	Yield
With triethanolamine; 4,5-dichloro-1-phenylpyridazin-6-one; sodium tris(acetoxy)borohydride	72%

...Expand

: 1-(5-fluoropentyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid

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

: methyl (S)-2-(1-(5-fluoropentyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamido)-3,3-dimethylbutanoate

Conditions

Conditions	Yield
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine In N,N-dimethyl-formamide at 20℃; Inert atmosphere;	72%

: 1094091-87-8
8-(tert-butoxycarbonyl)-3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-a][1,4]diazepine-1-carboxylic acid

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

: 1094091-88-9
(S)-tert-butyl 1-(1-methoxy-3,3-dimethyl-1-oxobutan-2-ylcarbamoyl)-3-phenyl-6,7-dihydro-5H-imidazo[1,5-a][1,4]diazepine-8(9H)-carboxylate

Conditions

Conditions	Yield
Stage #1: 8-(tert-butoxycarbonyl)-3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-a][1,4]diazepine-1-carboxylic acid; L-tert-leucine methyl ester hydrochloride With O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 0 - 20℃; for 1.33333h; Stage #2: With water; sodium hydrogencarbonate In N,N-dimethyl-formamide	71%

: 212057-67-5
4-nitronaphthalen-1-yl trifluoromethanesulfonate

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

: methyl (S)-3,3-dimethyl-2-((4-nitronaphthalen-1-yl)amino)butanoate

Conditions

Conditions	Yield
With tris-(dibenzylideneacetone)dipalladium(0); caesium carbonate; 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; N-ethyl-N,N-diisopropylamine In 1,4-dioxane at 100℃; for 20h; Inert atmosphere;	71%

: 18942-49-9
Boc-D-Phe-OH

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

: C21H32N2O5

Conditions

Conditions	Yield
With benzotriazol-1-ol; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide; N-ethyl-N,N-diisopropylamine In dichloromethane at 0 - 20℃; for 24.1667h; Inert atmosphere; Sealed tube;	70%

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

: 611-73-4
Benzoylformic acid

: (S)-3,3-Dimethyl-2-(2-oxo-2-phenyl-acetylamino)-butyric acid methyl ester

Conditions

Conditions	Yield
With dmap; triethylamine; dicyclohexyl-carbodiimide In dichloromethane	69%

: 1-(4-fluorobutyl)-1H-indazole-3-carboxylic acid

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

: methyl (2S)-2-([1-(4-fluorobutyl)-1H-indazole-3-carbonyl]amino)-3,3-dimethylbutanoate

Conditions

Conditions	Yield
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine In N,N-dimethyl-formamide at 20℃; Inert atmosphere;	68%

: 52803-75-5
2-(benzyloxy)-5-chlorobenzoic acid

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

: 1469996-57-3
methyl (2S)-2-[[2-(benzyloxy)(5-chlorobenzoyl)amino]-3,3-dimethyl]butanoate

Conditions

Conditions	Yield
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine In dichloromethane at 5 - 20℃; for 16.5h;	67%

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

Product Name

L-TERT-LEUCINE METHYL ESTER HYDROCHLORIDE

Synthetic route

L-tert-Leucine methyl ester hydrochloride Specification

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