CAS No.319-78-8,(2R,3R)-2-Amino-3-methylpentanoic acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	319-78-8
Name:	(2R,3R)-2-Amino-3-methylpentanoic acid
Article Data:	88

Formula:	C₆H₁₃NO₂
Molecular Weight:	131.175
Synonyms:	Isoleucine,D- (8CI);(R)-Isoleucine;(2R,3R)-2-Amino-3-methylpentanoic acid;
EINECS:	206-269-2
Density:	1.035 g/cm³
Melting Point:	272-274 °C
Boiling Point:	297.8 °C at 760 mmHg
Flash Point:	109.2 °C
Appearance:	white to very slightly yellow powder
Hazard Symbols:	Xn
Risk Codes:	40
Safety:	24/25-36-22
PSA:	63.32000
LogP:	1.14470

Synthetic route

: 73-32-5, 319-78-8, 443-79-8, 1509-34-8, 1509-35-9, 3107-04-8, 7004-09-3
isoleucine

A: 1509-34-8
D-allo-isoleucine

B: 319-78-8
D-Isoleucine

Conditions

Conditions	Yield
With C13H15NO5V(1-)*C16H36N(1+) In ethanol; water	A 32% B n/a
With C13H15NO5V(1-)*C16H36N(1+) In ethanol; water	A n/a B 22%

: 73-32-5, 319-78-8, 443-79-8, 1509-34-8, 1509-35-9, 3107-04-8, 7004-09-3
DL-isoleucine

: 319-78-8
D-Isoleucine

Conditions

Conditions	Yield
durch Einw. von gaerender Hefe;
crystallization with L-Phe (1:2 ratio) from water-ethanol (pH 5-6) at 25 deg C;
Multi-step reaction with 2 steps 2: brucine / man zerlegt in die optisch aktiven Komponenten und erwaermt mit 10prozentiger Salzsaeure auf dem Wasserbad View Scheme

: 21582-41-2
(-)(2S:3R)-2-bromo-3-methyl-valeric acid

: 319-78-8
D-Isoleucine

Conditions

Conditions	Yield
bei Ueberfuehrung in das (Carboxymetyl)-amid, folgender Aminierung und Hydrolyse;

: 4101-35-3, 89810-44-6
N-formyl-isoleucine

: 319-78-8
D-Isoleucine

Conditions

Conditions	Yield
With brucine man zerlegt in die optisch aktiven Komponenten und erwaermt mit 10prozentiger Salzsaeure auf dem Wasserbad;
With brucine man zerlegt in die optisch aktiven Komponenten und erwaermt mit 20prozentiger Bromwasserstoffsaeure;

: 907582-55-2
N-formyl-D-isoleucine

: 319-78-8
D-Isoleucine

Conditions

Conditions	Yield
With hydrogen bromide

: 19764-31-9
(2R,3R)-2-acetamido-3-methylpentanoic acid

: 319-78-8
D-Isoleucine

Conditions

Conditions	Yield
With hydrogenchloride
With Escherichia coli D-aminoacylase amano In phosphate buffer at 37℃; for 12h; pH=8.0;
Stage #1: (2R,3R)-2-acetamido-3-methylpentanoic acid With hydrogenchloride; water at 80℃; Stage #2: With triethylamine

: 868-28-0
N-D-isoleucyl-glycine

A: 319-78-8
D-Isoleucine

B: 56-40-6
glycine

Conditions

Conditions	Yield
Hydrolysis;

: 907582-60-9
N-chloroacetyl-D-isoleucine

: 319-78-8
D-Isoleucine

Conditions

Conditions	Yield
With hydrogenchloride

: 73-32-5, 319-78-8, 443-79-8, 1509-34-8, 1509-35-9, 3107-04-8, 7004-09-3
DL-isoleucine

A: 73-32-5
L-isoleucine

B: 319-78-8
D-Isoleucine

: 73-32-5
L-isoleucine

: 319-78-8
D-Isoleucine

Conditions

Conditions	Yield
With hydrogenchloride; ethanethiol at 110℃; Rate constant; various times;

Raw Materials

328-39-2

1460-34-0

7664-93-9

96-17-3

922-63-4

1565-80-6

319-78-8

61548-98-9

Downstream Products

96-15-1

124-38-9

116-53-0

2546-69-2

7664-41-7

42880-22-8

142-62-1

73-32-5

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Specification

The CAS registry number of D-Isoleucine is 319-78-8. In addition, the molecular formula is C₆H₁₃NO₂ and the molecular weight is 131.17. The IUPAC name is (2R,3R)-2-amino-3-methylpentanoic acid. What's more, it is a kind of white to very slightly yellow powder. Besides it can be used in biochemical research and as nutritional supplements in medicine.

Physical properties about D-Isoleucine are: (1)ACD/LogP: 0.73; (2)ACD/LogD (pH 5.5): -1.77; (3)ACD/LogD (pH 7.4): -1.77; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 29.54 Å²; (12)Index of Refraction: 1.462; (13)Molar Refractivity: 34.86 cm³; (14)Molar Volume: 126.6 cm³; (15)Polarizability: 13.82 ×10^-24cm³; (16)Surface Tension: 39 dyne/cm; (17)Density: 1.035 g/cm³; (18)Flash Point: 90.3 °C; (19)Enthalpy of Vaporization: 50.93 kJ/mol; (20)Boiling Point: 225.8 °C at 760 mmHg; (21)Vapour Pressure: 0.0309 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
During using it, wear suitable protective clothing and avoid contact with skin and eyes. In addition, do not breathe dust. There is limited evidence of a carcinogenic effect.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@H](N)[C@H](C)CC
(2)Std.InChI: InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5-/m1/s1
(3)Std.InChIKey: AGPKZVBTJJNPAG-RFZPGFLSSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rat	LD50	intraperitoneal	6822mg/kg (6822mg/kg)	BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) LUNGS, THORAX, OR RESPIRATION: DYSPNEA	Archives of Biochemistry and Biophysics. Vol. 64, Pg. 319, 1956.