(R)-(+)-alpha-[(3-Methoxy-1-methyl-3-oxo-1-propenyl)amino]-1,4-cyclohexadiene-1-acetic acid sodium salt supplier

Name
(R)-(+)-alpha-[(3-Methoxy-1-methyl-3-oxo-1-propenyl)amino]-1,4-cyclohexadiene-1-acetic acid sodium salt
EINECS 248-000-1
CAS No. 26774-89-0
Density
Solubility
Melting Point 240 °C (dec.)(lit.)
Formula C₁₃H₁₇NO₄.Na
Boiling Point
Molecular Weight 273.26
Flash Point
Transport Information
Appearance White to off-white crystalline powder
Safety 26-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms 1,4-Cyclohexadiene-1-aceticacid, a-[(2-carboxy-1-methylvinyl)amino]-,a-methyl ester, sodium salt, D-(8CI);1,4-Cyclohexadiene-1-acetic acid, a-[(3-methoxy-1-methyl-3-oxo-1-propenyl)amino]-,monosodium salt, (R)-;1,4-Cyclohexadiene-1-acetic acid, a-[(3-methoxy-1-methyl-3-oxo-1-propenyl)amino]-,monosodium salt, (aR)- (9CI);
PSA 78.46000
LogP 0.43860

(R)-(+)-alpha-[(3-Methoxy-1-methyl-3-oxo-1-propenyl)amino]-1,4-cyclohexadiene-1-acetic acid sodium salt Specification

The (R)-(+)-alpha-[(3-Methoxy-1-methyl-3-oxo-1-propenyl)amino]-1,4-cyclohexadiene-1-acetic acid sodium salt , 26774-89-0, is also called sodium (R,E)-2-(cyclohexa-1,4-dienyl)-2-(4-methoxy-4-oxobut-2-en-2-ylamino)acetate . Its systematic name is called Sodium (R)-alpha-((3-methoxy-1-methyl-3-oxo-1-propenyl)amino)cyclohexa-1,4-diene-1-acetate .

Physical properties of (R)-(+)-alpha-[(3-Methoxy-1-methyl-3-oxo-1-propenyl)amino]-1,4-cyclohexadiene-1-acetic acid sodium salt are: (1) #H bond acceptors: 5 ; (2) #H bond donors: 2 ; (3) #Freely Rotating Bonds: 6 ; (4) Polar Surface Area: 78.46 Å² ; (5) Alpha: 83 º (c=1, H₂O).

Uses of (R)-(+)-alpha-[(3-Methoxy-1-methyl-3-oxo-1-propenyl)amino]-1,4-cyclohexadiene-1-acetic acid sodium salt : This compound is used as intermediate for Cefradine .

When you are using this chemical, please be cautious about it as the following:
The (R)-(+)-alpha-[(3-Methoxy-1-methyl-3-oxo-1-propenyl)amino]-1,4-cyclohexadiene-1-acetic acid sodium salt is irritating to eyes, respiratory system and skin. Before use it, wear suitable protective clothing. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES:[Na+].[O-]C(=O)[C@H](NC(\C)=C/C(=O)OC)C=1C\C=C/CC=1;
(2)InChI:InChI=1/C13H17NO4.Na/c1-9(8-11(15)18-2)14-12(13(16)17)10-6-4-3-5-7-10;/h3-4,7-8,12,14H,5-6H2,1-2H3,(H,16,17);/q;+1/p-1/b9-8-;/t12-;/m1./s1;
(3)InChIKey:XWVDGMIXJIIFTO-XUAJIHSLBP

Product Name

(R)-(+)-alpha-[(3-Methoxy-1-methyl-3-oxo-1-propenyl)amino]-1,4-cyclohexadiene-1-acetic acid sodium salt

(R)-(+)-alpha-[(3-Methoxy-1-methyl-3-oxo-1-propenyl)amino]-1,4-cyclohexadiene-1-acetic acid sodium salt Specification

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