CAS No.26774-89-0,(R)-(+)-alpha-[(3-Methoxy-1-methyl-3-oxo-1-propenyl)amino]-1,4-cyclohexadiene-1-acetic acid sodium salt Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	26774-89-0
Name:	(R)-(+)-alpha-[(3-Methoxy-1-methyl-3-oxo-1-propenyl)amino]-1,4-cyclohexadiene-1-acetic acid sodium salt

Formula:	C₁₃H₁₇NO₄.Na
Molecular Weight:	273.26
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);
EINECS:	248-000-1
Melting Point:	240 °C (dec.)(lit.)
Appearance:	White to off-white crystalline powder
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	78.46000
LogP:	0.43860

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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