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L-Norvaline methyl ester hydrochloride

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Name

L-Norvaline methyl ester hydrochloride

EINECS 1533716-785-6
CAS No. 56558-30-6 Density N/A
PSA 52.32000 LogP 1.78910
Solubility N/A Melting Point N/A
Formula C6H14ClNO2 Boiling Point 197.5 °C at 760 mmHg
Molecular Weight 167.636 Flash Point 73.2 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 56558-30-6 (H-NVA-OME HCL) Hazard Symbols N/A
Synonyms

L-Norvaline,methyl ester, hydrochloride (9CI);Methyl L-norvalinate hydrochloride;

Article Data 17

L-Norvaline methyl ester hydrochloride Synthetic route

67-56-1

methanol

6600-40-4

L-Norvaline

56558-30-6

methyl L-norvalinate hydrochloride

Conditions
ConditionsYield
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
ConditionsYield
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
ConditionsYield
In methanol for 19h; Heating / reflux;
6600-40-4

L-Norvaline

56558-30-6

methyl L-norvalinate hydrochloride

Conditions
ConditionsYield
In methanol
67-56-1

methanol

27493-23-8

L-norvaline hydrochloride

56558-30-6

methyl L-norvalinate hydrochloride

Conditions
ConditionsYield
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
ConditionsYield
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
ConditionsYield
With triethylamine In dichloromethane at 0 - 20℃;93%
56558-30-6

methyl L-norvalinate hydrochloride

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

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

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

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