CAS No.6236-10-8,(R)-(-)-CITRAMALIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	6236-10-8
Name:	(R)-(-)-CITRAMALIC ACID
Article Data:	10

Formula:	C₅H₈O₅
Molecular Weight:	148.116
Synonyms:	Butanedioicacid, 2-hydroxy-2-methyl-, (R)-;Malic acid, 2-methyl-, (-)- (8CI);(-)-Citramalic acid;(R)-Citramalate;(R)-Citramalic acid;2R-Methylmalic acid;D-(-)-Citramalic acid;D-Citramalic acid;R-Citramalic acid;
Density:	1.513 g/cm³
Melting Point:	108-110 °C(lit. )
Boiling Point:	295.2 °C at 760 mmHg
Flash Point:	146.6 °C
Appearance:	white fine crystalline powder
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	94.83000
LogP:	-0.70330

Synthetic route

: 205579-47-1
((3R,8aS)-3-Methyl-1,4-dioxo-hexahydro-pyrrolo[2,1-c][1,4]oxazin-3-yl)-acetic acid ethyl ester

: 6236-10-8
(R)-(-)-citramalic acid

Conditions

Conditions	Yield
With hydrogenchloride for 5h; Heating;	100%

: 93206-60-1
(S)-4-methyl-4-(trichloromethyl)-2-oxetanone

: 6236-10-8
(R)-(-)-citramalic acid

Conditions

Conditions	Yield
With sodium hydroxide at 20℃; for 18h; Hydrolysis;	91%
With sodium hydroxide In water 1.) 5 deg C; 2.) room temperature;

: 119696-04-7
trans-2-phenylcyclohexyl citramalate

: 6236-10-8
(R)-(-)-citramalic acid

Conditions

Conditions	Yield
With potassium hydroxide In tetrahydrofuran at 60℃; for 24h;	87%

: 597-44-4
2-hydroxy-2-methylbutane-1,4-dioic acid

A: 2174-58-5
L-malic acid

B: 6236-10-8
(R)-(-)-citramalic acid

Conditions

Conditions	Yield
With formaldehyd; TETRACYCLINE; paraquat dichloride In water at 37℃; for 69h; Clostridium formicoaceticum, phosphate buffer;	A 84.8% B 81.8%

: (R)-3-cyano-2-hydroxy-2-methylpropanamide

: 6236-10-8
(R)-(-)-citramalic acid

Conditions

Conditions	Yield
With barium dihydroxide; water for 48h; Heating;	81%

: (-)-Isotetradehydrofurospongin-1

: 6236-10-8
(R)-(-)-citramalic acid

Conditions

Conditions	Yield
Stage #1: (-)-Isotetradehydrofurospongin-1 With ozone In dichloromethane at -78℃; Stage #2: With jones reagent In dichloromethane at 20℃; Further stages.;	25%

: 597-44-4
2-hydroxy-2-methylbutane-1,4-dioic acid

: 6236-10-8
(R)-(-)-citramalic acid

Conditions

Conditions	Yield
With brucine

: 498-23-7
citraconic acid

A: 6236-10-8
(R)-(-)-citramalic acid

B: 152204-30-3
(2R,3S)-3-methylmalic acid

Conditions

Conditions	Yield
With TETRACYCLINE In water at 37℃; for 142h; Clostridium formicoaceticum, phosphate buffer; Title compound not separated from byproducts;

: 1-benzyl hydrogen 2-hydroxy-2-methylbutanedioate

: 6236-10-8
(R)-(-)-citramalic acid

Conditions

Conditions	Yield
With potassium hydroxide Hydrolysis;

: 14-O-α-L-rhamnopyranosyl-(2E,4E,7R,8E,10E,12E,14R)-7,9,13,17-tetramethyl-7,14-dihydroxy-2,4,8,10,12,16-octadecahexaenoic acid

A: 6236-10-8
(R)-(-)-citramalic acid

B: 144-62-7
oxalic acid

C: 64-19-7
acetic acid

D: 127-17-3
2-oxo-propionic acid

Conditions

Conditions	Yield
With ozone In dichloromethane at -78℃; for 0.0833333h; Further byproducts given. Title compound not separated from byproducts;

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Specification

The Butanedioic acid, 2-hydroxy-2-methyl-, (2R)-, with the CAS registry number of 6236-10-8, is also known as D-(-)-Citramalic acid and (R)-(-)-Citramalic acid. It belongs to the product categories of Carboxylic Acids (Chiral); Chiral Building Blocks; Synthetic Organic Chemistry. This chemical's molecular formula is C₅H₈O₅ and molecular weight is 148.11. What's more, its IUPAC name is 2-Hydroxy-2-methylbutanedioic acid.

Physical properties about Butanedioic acid, 2-hydroxy-2-methyl-, (2R)- are: (1)ACD/LogP: -0.91; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 5; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 61.83 Å²; (11)Index of Refraction: 1.521; (12)Molar Refractivity: 29.84 cm³; (13)Molar Volume: 97.8 cm³; (14)Polarizability: 11.83×10^-24 cm³; (15)Surface Tension: 73.4 dyne/cm; (16)Density: 1.513 g/cm³; (17)Flash Point: 146.6 °C; (18)Enthalpy of Vaporization: 62.05 kJ/mol; (19)Boiling Point: 295.2 °C at 760 mmHg; (20)Vapour Pressure: 0.000161 mmHg at 25 °C; (21)Melting Point: 108-110 °C(lit. ).

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, this chemical may cause inflammation to the skin or other mucous membranes. During using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)C[C@@](O)(C(=O)O)C
(2) InChI: InChI=1/C5H8O5/c1-5(10,4(8)9)2-3(6)7/h10H,2H2,1H3,(H,6,7)(H,8,9)/t5-/m1/s1
(3) InChIKey: XFTRTWQBIOMVPK-RXMQYKEDBR