CAS No.56558-30-6,H-NVA-OME HCL Suppliers

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Basic Information

Molecular Structure:
CAS No.:	56558-30-6
Name:	H-NVA-OME HCL
Article Data:	17

Formula:	C₆H₁₄ClNO₂
Molecular Weight:	167.636
Synonyms:	L-Norvaline,methyl ester, hydrochloride (9CI);Methyl L-norvalinate hydrochloride;
EINECS:	1533716-785-6
Boiling Point:	197.5 °C at 760 mmHg
Flash Point:	73.2 °C
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%

Raw Materials

67-56-1

6600-40-4

75-36-5

Downstream Products

1492-17-7

22724-81-8

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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