CAS No.5266-20-6,OROTIC ACID LITHIUM SALT MONOHYDRATE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	5266-20-6
Name:	OROTIC ACID LITHIUM SALT MONOHYDRATE
Article Data:	1

Formula:	C₅H₃LiN₂O₄
Molecular Weight:	162.031
Synonyms:	4-Pyrimidinecarboxylicacid, 1,2,3,6-tetrahydro-2,6-dioxo-, monolithium salt (9CI);Orotic acid,monolithium salt (8CI);4-Pyrimidinecarboxylicacid, 1,2,3,6-tetrahydro-2,6-dioxo-, lithium salt (1:1);
EINECS:	226-081-4
Melting Point:	300oC
Safety:	22-24/25
PSA:	115.60000
LogP:	-1.81300

Synthetic route

: 65-86-1
orotic acid

: 5266-20-6
lithium orotate

Conditions

Conditions	Yield
With lithium hydroxide In water at 70 - 90℃; for 0.5h;

: 5266-20-6
lithium orotate

: 65-86-1
2,4-dihydroxypyrimidine-6-carboxylic acid

Conditions

Conditions	Yield
With hydrogenchloride In N,N-dimethyl-formamide at 70℃; for 2h;	100%

: 5266-20-6
lithium orotate

: 26830-94-4
2,4-dichloropyrimidine-6-carboxylic acid chloride

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: hydrogenchloride / N,N-dimethyl-formamide / 2 h / 70 °C 2: phosphorus pentachloride; trichlorophosphate / 3 h / 20 °C / Reflux View Scheme

: 5266-20-6
lithium orotate

: 1146733-65-4
6-(2,6-dichloro-pyrimidine-4-carbonyl)-4-methyl-3H-benzoxazol-2-one

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: hydrogenchloride / N,N-dimethyl-formamide / 2 h / 70 °C 2: phosphorus pentachloride; trichlorophosphate / 3 h / 20 °C / Reflux 3: aluminum (III) chloride / 1.5 h / 125 °C View Scheme

: 5266-20-6
lithium orotate

: 1146731-37-4
3-{1-[2-chloro-6-(4-methyl-2-oxo-2,3-dihydro-benzoxazole-6-carbonyl)-pyrimidin-4-yl]-piperidin-4-yl}-7-methoxy-1,3,4,5-tetrahydro-benzo[d][1,3]diazepin-2-one

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: hydrogenchloride / N,N-dimethyl-formamide / 2 h / 70 °C 2: phosphorus pentachloride; trichlorophosphate / 3 h / 20 °C / Reflux 3: aluminum (III) chloride / 1.5 h / 125 °C 4: N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide / 20 °C View Scheme

Downstream Products

26830-94-4

Total:64 Page 1 of 2 1 2 Next>>

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Specification

The Lithium orotate, with the CAS registry number 5266-20-6, is also known as 4-Pyrimidinecarboxylicacid, 1, 2, 3, 6-tetrahydro-2, 6-dioxo-, lithium salt (1:1). Its EINECS registry number is 226-081-4. This chemical's molecular formula is C₅H₃LiN₂O₄ and molecular weight is 162.02932. What's more, its IUPAC name is Lithium 2, 4-dioxo-1H-pyrimidine-6-carboxylate.

Physical properties about Lithium orotate are: (1)H-Bond Donor: 2; (2)H-Bond Acceptor: 4; (3)Rotatable Bond Count: 1; (4)Tautomer Count: 9; (5)Exact Mass: 162.025286; (6)MonoIsotopic Mass: 162.025286; (7)Topological Polar Surface Area: 98.3; (8)Heavy Atom Count: 12; (9)Formal Charge: 0; (10)Complexity: 273; (11)Isotope Atom Count: 0; (12)Defined Atom StereoCenter Count: 0; (13)Undefined Atom StereoCenter Count: 0; (14)Defined Bond StereoCenter Count: 0; (15)Undefined Bond StereoCenter Count: 0; (16)Covalently-Bonded Unit Count: 2.

You can still convert the following datas into molecular structure:
(1) Canonical SMILES: [Li+].C1=C(NC(=O)NC1=O)C(=O)[O-]
(2) InChI: InChI=1S/C5H4N2O4.Li/c8-3-1-2(4(9)10)6-5(11)7-3;/h1H,(H,9,10)(H2,6,7,8,
11);/q;+1/p-1
(3) InChIKey: IZJGDPULXXNWJP-UHFFFAOYSA-M