L-Norvaline methyl ester hydrochloride supplier

Name
H-NVA-OME HCL
EINECS 1533716-785-6
CAS No. 56558-30-6
Article Data17
CAS DataBase
Density
Solubility
Melting Point
Formula C₆H₁₄ClNO₂
Boiling Point 197.5 °C at 760 mmHg
Molecular Weight 167.636
Flash Point 73.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms L-Norvaline,methyl ester, hydrochloride (9CI);Methyl L-norvalinate hydrochloride;
PSA 52.32000
LogP 1.78910

Synthetic route

: 67-56-1
methanol

: 6600-40-4
L-Norvaline

: 56558-30-6
methyl L-norvalinate hydrochloride

Conditions

Conditions	Yield
With hydrogenchloride Ambient temperature;	98%
With hydrogenchloride for 1h; Reflux;	98%
With hydrogenchloride for 6h; Reflux; Inert atmosphere;	97%

: 220515-19-5
tert-butyl-(2S,3S)-1,2-dihydroxyhexan-3-ylcarbamate

: 56558-30-6
methyl L-norvalinate hydrochloride

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: NaIO4; RuCl3*3H2O / acetonitrile; CCl4; H2O / 2 h 1.2: 65 percent / 3N HCl / tetrahydrofuran / 12 h / Heating 2.1: SOCl2 / 60 h / Heating View Scheme

: 6600-40-4
L-Norvaline

: 75-36-5
acetyl chloride

: 56558-30-6
methyl L-norvalinate hydrochloride

Conditions

Conditions	Yield
In methanol for 19h; Heating / reflux;

: 6600-40-4
L-Norvaline

: 56558-30-6
methyl L-norvalinate hydrochloride

Conditions

Conditions	Yield
In methanol

: 67-56-1
methanol

: 27493-23-8
L-norvaline hydrochloride

: 56558-30-6
methyl L-norvalinate hydrochloride

Conditions

Conditions	Yield
With thionyl chloride at 40℃; Cooling with ice;

: 445306-02-5
(2S,4R)-1-((S)-2-tert-Butoxycarbonylamino-3-methyl-butyryl)-4-(7-methoxy-2-phenyl-quinolin-4-yloxy)-pyrrolidine-2-carboxylic acid

: 56558-30-6
methyl L-norvalinate hydrochloride

: (S)-2-{[(2S,4R)-1-((S)-2-tert-Butoxycarbonylamino-3-methyl-butyryl)-4-(7-methoxy-2-phenyl-quinolin-4-yloxy)-pyrrolidine-2-carbonyl]-amino}-pentanoic acid methyl ester

Conditions

Conditions	Yield
With O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 20℃; for 2.5h;	95%

: 24424-99-5
di-tert-butyl dicarbonate

: 56558-30-6
methyl L-norvalinate hydrochloride

: 64896-37-3
methyl N-{[(1,1-dimethylethyl)oxy]carbonyl}-L-norvalinate

Conditions

Conditions	Yield
With triethylamine In dichloromethane at 0 - 20℃;	93%

: 13139-16-7, 35264-07-4, 55721-65-8, 55780-90-0, 116194-21-9
N-tert-butyloxy-isoleucine

: 56558-30-6
methyl L-norvalinate hydrochloride

: (S)-2-((S)-2-tert-Butoxycarbonylamino-3-methyl-pentanoylamino)-pentanoic acid methyl ester

Conditions

Conditions	Yield
With 1-[bis(dimethylamino)methylen]-1-H-benzotriazolim-tetrafluoroborate-3-oxide; N-ethyl-N,N-diisopropylamine In tetrahydrofuran at 20℃;	92%
With triethylamine; diethyl dicarbonate In N,N-dimethyl-formamide at 0 - 20℃; for 2.5h;	74%

: 56558-30-6
methyl L-norvalinate hydrochloride

: 407-25-0
trifluoroacetic anhydride

: 74538-84-4
(S)-methyl 2-(2,2,2-trifluoroacetamido)pentanoate

Conditions

Conditions	Yield
With triethylamine In dichloromethane at 23℃; for 5h;	89%
With 4-methyl-morpholine In chloroform

: 56558-30-6
methyl L-norvalinate hydrochloride

: 134302-11-7
5-(cyclopropanecarbonyl)-2,2-dimethyl-1,3-dioxane-4,6-dione

: methyl 2-(3-cyclopropyl-3-oxopropionamido)pentanoate

Conditions

Conditions	Yield
With triethylamine In 1,4-dioxane at 110℃; for 4h;	86%

: 56558-30-6
methyl L-norvalinate hydrochloride

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

: 128892-47-7
methyl 2-(3-oxobutanamido)pentanoate

Conditions

Conditions	Yield
With triethylamine In 1,4-dioxane at 110℃; for 4h;	86%

: 674-82-8
4-methyleneoxetan-2-one

: 56558-30-6
methyl L-norvalinate hydrochloride

: 128892-47-7
methyl 2-(3-oxobutanamido)pentanoate

Conditions

Conditions	Yield
With triethylamine In chloroform; acetone for 16h; Ambient temperature;	83%
With triethylamine In methanol at -4℃; for 1h;

: 1219915-50-0
5-[3-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6-yl)propyl]thiophene-2-carboxylic acid

: 56558-30-6
methyl L-norvalinate hydrochloride

: C20H25N5O4S

Conditions

Conditions	Yield
Stage #1: 5-[3-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6-yl)propyl]thiophene-2-carboxylic acid With 4-methyl-morpholine; 2-chloro-4,6-dimethoxy-1 ,3,5-triazine In N,N-dimethyl-formamide at 20℃; for 2h; Stage #2: methyl L-norvalinate hydrochloride In N,N-dimethyl-formamide at 20℃; for 12h;	83%

: 56558-30-6
methyl L-norvalinate hydrochloride

: 112378-35-5
5-(cyclohexanecarbonyl)-2,2-dimethyl-1,3-dioxane-4,6-dione

: methyl 2-(3-cyclohexyl-3-oxopropionamido)pentanoate

Conditions

Conditions	Yield
With triethylamine In 1,4-dioxane at 110℃; for 4h;	83%

: 56558-30-6
methyl L-norvalinate hydrochloride

: 59-05-2
N-[4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-L-glutamic acid

: methyl 2-({N2-{4-[[(2,4-diaminopteridin-6-yl)methyl](methyl)amino]benzoyl}-N1-[1-(methoxycarbonyl)propyl]-α-glutaminyl}amino)pentanoate

Conditions

Conditions	Yield
With 1-hydroxybenzotriazol-hydrate; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine In dichloromethane; N,N-dimethyl-formamide at 0 - 20℃; for 26h;	81%

: 13139-15-6
N-tert-butoxycarbonyl-L-leucine

: 56558-30-6
methyl L-norvalinate hydrochloride

: 1426227-61-3
(N-(tert-butoxycarbonyl)-L-leucinyl)-L-norvaline methyl ester

Conditions

Conditions	Yield
With benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 20℃;	80.9%
With benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 20℃;	692 mg
With N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 20℃;

: 56558-30-6
methyl L-norvalinate hydrochloride

: 501-53-1
benzyl chloroformate

: 145842-50-8
benzyl N-[(1S)-1-(hydroxymethyl)butyl]carbamate

Conditions

Conditions	Yield
Stage #1: methyl L-norvalinate hydrochloride; benzyl chloroformate With potassium carbonate In tetrahydrofuran; water at 20℃; for 4h; Stage #2: With methanol; sodium tetrahydroborate In tetrahydrofuran at 10 - 25℃; for 2h;	73%

: 56558-30-6
methyl L-norvalinate hydrochloride

: 100-39-0
benzyl bromide

: methyl 2-(benzylamino)pentanoate

Conditions

Conditions	Yield
With potassium carbonate In acetonitrile at 20℃;	73%

: 56558-30-6
methyl L-norvalinate hydrochloride

: 153896-97-0
4(S)-N-chloroformyl-4-isopropyl-2-oxazolidinone

: (S)-2-[((S)-4-Isopropyl-2-oxo-oxazolidine-3-carbonyl)-amino]-pentanoic acid methyl ester

Conditions

Conditions	Yield
With sodium hydroxide In dichloromethane; water 0 deg C, 30 min, RT, 1 h;	71%

: 98-98-6
2-Picolinic acid

: 56558-30-6
methyl L-norvalinate hydrochloride

: 1353864-09-1
(S)-methyl 2-(picolinamido)pentanoate

Conditions

Conditions	Yield
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃;	71%

: 56558-30-6
methyl L-norvalinate hydrochloride

: N-(dodecyloxycarbonyl)-(L-phenylalanyl)-L-histidine

: N-(dodecyloxxyycarbonyl)-(L-phenylalanyl)-L-histidyl-L-norvaline methyl ester

Conditions

Conditions	Yield
With dicyclohexyl-carbodiimide In N,N-dimethyl-formamide	66%

: 56558-30-6
methyl L-norvalinate hydrochloride

: C22H13F2N3O6

: methyl(S)-2-((S)-2-(2,4-dinitrophenyl)-2-(4-fluorobenzamido)-3-(3-fluorophenyl)propanamido)pentanoate

Conditions

Conditions	Yield
With dmap; potassium carbonate In chloroform at 20℃; for 16h;	63%

: 22509-74-6
N-ethoxycarbonylphthalimide

: 56558-30-6
methyl L-norvalinate hydrochloride

: 137649-34-4
(S)-N-Phthaloylnorvaline Methyl Ester

Conditions

Conditions	Yield
With sodium carbonate In water	55%

: 948902-44-1
CF3O3S(1-)*C14H18BrN4O2S(1+)

: 56558-30-6
methyl L-norvalinate hydrochloride

: 948902-45-2
C16H24BrN3O4S

Conditions

Conditions	Yield
With triethylamine In acetonitrile at 20℃; for 40h;	53.8%

: 56558-30-6
methyl L-norvalinate hydrochloride

: 58-85-5
biotin

: (S)-2-[5-((3aR,6S,6aS)-2-Oxo-hexahydro-thieno[3,4-d]imidazol-6-yl)-pentanoylamino]-pentanoic acid methyl ester

Conditions

Conditions	Yield
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In N,N-dimethyl-formamide for 4h;	50%

: 56558-30-6
methyl L-norvalinate hydrochloride

: 731798-31-5
(S)-N-(2,6-dioxo-tetrahydro-2H-pyran-3-yl)-3,4,5-trimethoxybenzamide

: (S)-2-[(S)-4-Carboxy-2-(3,4,5-trimethoxy-benzoylamino)-butyrylamino]-pentanoic acid methyl ester

Conditions

Conditions	Yield
With triethylamine In dichloromethane at 20℃; for 1.16667h;	47%

: 56558-30-6
methyl L-norvalinate hydrochloride

: 105184-38-1
3,5-difluorophenyl acetic acid

: 681143-31-7
C14H17F2NO3

Conditions

Conditions	Yield
With O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; triethylamine In dichloromethane at 20℃;	36%

: 1155873-40-7
C15H17NO7

: 56558-30-6
methyl L-norvalinate hydrochloride

: 1331960-95-2
(R)-5-((S)-1-methoxy-1-oxopentan-2-ylamino)-5-oxo-4-(3,4,5-trimethoxybenzamido)pentanoic acid

Conditions

Conditions	Yield
With triethylamine In dichloromethane at 20℃;	23.4%

: 1070-19-5
N-(tert-butyloxycarbonyl) azide

: 56558-30-6
methyl L-norvalinate hydrochloride

: 64896-37-3
methyl N-{[(1,1-dimethylethyl)oxy]carbonyl}-L-norvalinate

Conditions

Conditions	Yield
With 4-methyl-morpholine In ethyl acetate

: 56558-30-6
methyl L-norvalinate hydrochloride

: 53308-95-5
N-tert-butoxycarbonyl-L-norvaline

: 56558-25-9
(S)-2-((S)-2-tert-Butoxycarbonylamino-pentanoylamino)-pentanoic acid methyl ester

Conditions

Conditions	Yield
(i) 4-methyl-morpholine, CHCl3, (ii) /BRN= 3607582/, DCC; Multistep reaction;

: 56558-30-6
methyl L-norvalinate hydrochloride

: 75-36-5
acetyl chloride

: 1492-17-7
methyl (S)-2-(N-acetylamino)pentanoate

Conditions

Conditions	Yield
With triethylamine In chloroform

: 28897-81-6, 51127-17-4, 85700-33-0, 5839-93-0
2-phenyl-4-iso-propyl-4H-oxazolin-5-one

: 56558-30-6
methyl L-norvalinate hydrochloride

A: Bz-D-Val-L-Nle-OCH3

B: Bz-L-Val-L-Nle-OCH3

Conditions

Conditions	Yield
With triethylamine In dichloromethane at 5℃; for 24h; Product distribution; asymmetric induction during aminolysis; other solvent;

...Expand

: 56558-30-6
methyl L-norvalinate hydrochloride

: 25163-98-8, 27460-46-4, 35253-83-9
4-isobutyl-2-phenyloxazol-5(4H)-one

A: Bz-L-Leu-L-Nle-OCH3

B: Bz-D-Leu-L-Nle-OCH3

Conditions

Conditions	Yield
With triethylamine In dichloromethane at 5℃; for 24h; Product distribution; asymmetric induction during aminolysis;

...Expand

: 56558-30-6
methyl L-norvalinate hydrochloride

: 7478-26-4
6-chloro-2-methoxy-9-phenoxyacridine

: 144862-87-3
(S)-2-(6-Chloro-2-methoxy-acridin-9-ylamino)-pentanoic acid methyl ester; hydrochloride

Conditions

Conditions	Yield
With phenol at 120℃; for 2.5h;

L-Norvaline methyl ester hydrochloride Specification

The L-Norvaline methyl ester hydrochloride, with the CAS registry number 56558-30-6, is also known as (S)-2-Amino-pentanoic acid methyl ester hydrochloride. This chemical's molecular formula is C₆H₁₄ClNO₂ and molecular weight is 167.63. What's more, its systematic name is called Methyl L-norvalinate hydrochloride.

Physical properties about L-Norvaline methyl ester hydrochloride are: (1) ACD/LogP: 0.58; (2) # of Rule of 5 Violations: 0; (3) #H bond acceptors: 3; (4) #H bond donors: 2; (5) #Freely Rotating Bonds: 5; (6) Polar Surface Area: 52.32 Å²; (7) Flash Point: 73.2 °C; (8) Enthalpy of Vaporization: 44.25 kJ/mol; (9) Boiling Point: 197.5 °C at 760 mmHg; (10) Vapour Pressure: 0.319 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: CCC[C@H](N)C(=O)OC.Cl
(2)InChI: InChI=1/C6H13NO2.ClH/c1-3-4-5(7)6(8)9-2;/h5H,3-4,7H2,1-2H3;1H/t5-;/m0./s1
(3)InChIKey: IODNYRVZHKRFIW-JEDNCBNOBF

Product Name

H-NVA-OME HCL

Synthetic route

L-Norvaline methyl ester hydrochloride Specification

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