CAS No.608-68-4,(+)-Dimethyl L-tartrate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	608-68-4
Name:	(+)-Dimethyl L-tartrate
Article Data:	58
Cas Database

Formula:	C₆H₁₀O₆
Molecular Weight:	178.142
Synonyms:	Butanedioicacid, 2,3-dihydroxy- (2R,3R)-, dimethyl ester (9CI);Butanedioic acid,2,3-dihydroxy- [R-(R,R)]-, dimethyl ester;Tartaric acid, dimethyl ester,(+)- (8CI);(+)-Tartaric acid dimethyl ester;(2R,3R)-(+)-Dimethyl tartrate;(2R,3R)-Dimethyl tartrate;Dimethyl (+)-L-tartrate;Dimethyl (+)-tartrate;Dimethyl (R,R)-tartrate;Dimethyl L-(+)-tartrate;Dimethyl L-tartarate;Dimethyl L-tartrate;L-(+)-Dimethyltartrate;L-Tartaric acid dimethyl ester;NSC 517;
EINECS:	210-166-8
Density:	1.367 g/cm³
Melting Point:	48-50 °C
Boiling Point:	280 °C at 760 mmHg
Flash Point:	95.7 °C
Solubility:	Soluble in water.
Appearance:	Colorless to light yellow liquid
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	24/25-36/37-26
PSA:	93.06000
LogP:	-1.94580

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Specification

The IUPAC name of (+)-Dimethyl L-tartrate is dimethyl (2R,3R)-2,3-dihydroxybutanedioate. With the CAS registry number 608-68-4 and EINECS 210-166-8, it is also named as Butanedioic acid, 2,3-dihydroxy- (2R,3R)-, 1,4-dimethyl ester. The product's categories are Fine Chemical & Intermediates; Chiral Compounds; Chiral Building Blocks; Esters (Chiral); Synthetic Organic Chemistry; Chiral Chemicals; Hydroxy Acids & Deriv.. It is colorless to light yellow liquid which is stable under normal temperature and pressure. Additionally, this chemical should be sealed in the container and stored in the cool and dry place.

The other characteristics of this product can be summarized as: (1)ACD/LogP: -1.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.35; (4)ACD/LogD (pH 7.4): -1.35; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 4.38; (8)ACD/KOC (pH 7.4): 4.37; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 71.06 Å²; (13)Index of Refraction: 1.47; (14)Molar Refractivity: 36.38 cm³; (15)Molar Volume: 130.3 cm³; (16)Polarizability: 14.42×10^-24 cm³; (17)Surface Tension: 51.1 dyne/cm; (18)Enthalpy of Vaporization: 60.21 kJ/mol; (19)Vapour Pressure: 0.000467 mmHg at 25°C; (20)Rotatable Bond Count: 5; (21)Exact Mass: 178.047738; (22)MonoIsotopic Mass: 178.047738; (23)Topological Polar Surface Area: 93.1; (24)Heavy Atom Count: 12; (25)Complexity: 157.

Preparation of (+)-Dimethyl L-tartrate: It can be obtained by methanol and (2R,3R)-2,3-dihydroxy-succinic acid. This reaction needs reagent NiCl₂*6H₂O by heating. The reaction time is 11 hours. The yield is 87%.

(+)-Dimethyl L-tartrate can be obtained by methanol and (2R,3R)-2,3-dihydroxy-succinic acid

Uses of (+)-Dimethyl L-tartrate: It is mainly used for synthetizing chiral drugs, chiral intermediates and used in asymmetric catalysis. It also can react with 1,1,1-trimethoxy-ethane to get dimethyl (4R)-trans-2-methoxy-2-methyl-1,3-dioxolan-4,5-dicarboxylate. This reaction needs reagent conc. H₂SO₄ and solvent benzene at temperature of 80 °C. The yield is 98%.

(+)-Dimethyl L-tartrate can react with 1,1,1-trimethoxy-ethane to get dimethyl (4R)-trans-2-methoxy-2-methyl-1,3-dioxolan-4,5-dicarboxylate

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin, so people should avoid contact with skin and eyes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing and gloves.

People can use the following data to convert to the molecule structure.
1. SMILES:O=C(OC)[C@H](O)[C@@H](O)C(=O)OC
2. InChI:InChI=1/C6H10O6/c1-11-5(9)3(7)4(8)6(10)12-2/h3-4,7-8H,1-2H3/t3-,4-/m1/s1
3. InChIKey:PVRATXCXJDHJJN-QWWZWVQMBW