Sodium (2R)-1,4-cyclohexadien-1-yl{[(2Z)-4-methoxy-4-oxo-2-buten-2-yl]amino}acetate | CAS No. 26774-89-0

Sodium (2R)-1,4-cyclohexadien-1-yl{[(2Z)-4-methoxy-4-oxo-2-buten-2-yl]amino}acetate

Basic Information

CAS Number

26774-89-0

Molecular Formula

C13H16NNaO4

Molecular Weight

273.26 g/mol

AD

Basic Physical Properties

Melting Point

240 °C (dec.)

Boiling Point

°Cat760mmHg

Specific Rotation

83 º (c=1, H2O)

CC(=CC(=O)OC)NC(C1=CCC=CC1)C(=O)[O-].[Na+]

InChI

InChI=1S/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

InChIKey

XWVDGMIXJIIFTO-UUFRONBISA-M

LogP

0.43860

Complexity

426

Safety Information

View Safety Information

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation
H319 Causes serious eye irritation
Serious eye damage/eye irritation
H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

  • Sodium (R,E)-2-(cyclohexa-1,4-dien-1-yl)-2-((4-methoxy-4-oxobut-2-en-2-yl)amino)acetate
  • sodium;(2R)-2-cyclohexa-1,4-dien-1-yl-2-[[(E)-4-methoxy-4-oxobut-2-en-2-yl]amino]acetate
  • AKOS024306959
  • AKOS015893914
  • A877146
  • (R)-(+)-alpha-[(3-Methoxy-1-methyl-3-oxo-1-propenyl)amino]-1,4-cyclohexadiene-1-acetic acid sodium salt, 98%
  • SODIUM (2R)-2-(CYCLOHEXA-1,4-DIEN-1-YL)-2-{[(2E)-4-METHOXY-4-OXOBUT-2-EN-2-YL]AMINO}ACETATE
  • DihydrophenylglycineMethylDanceSodiumSalt
  • 26774-89-0
  • (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
  • AKOS016010542
  • sodium (R,E)-2-(cyclohexa-1,4-dienyl)-2-(4-methoxy-4-oxobut-2-en-2-ylamino)acetate
  • Sodium(R,E)-2-(cyclohexa-1,4-dien-1-yl)-2-((4-methoxy-4-oxobut-2-en-2-yl)amino)acetate
  • (R)-(+)-α-[(3-Methoxy-1-methyl-3-oxo-1-propenyl)amino]-1,4-cyclohexadiene-1-acetic acid sodium salt
  • D(-)-Dihydro Phenylglycine Sodium dane Salt
  • SODIUM (R)-Α-[(3-METHOXY-1-METHYL-3-OXO-1-PROPENYL)AMINO]CYCLOHEXA-1,4-DIENE-1-ACETATE
  • (R)-A-((3-METHOXY-1-ME-3-OXO-1-PROPENYL)-AMINO)-1,4-CYCLOHEXADIENE-1-ACETIC NA
  • D-(-)-Dihydrophenylglycine Dane Sodium Salt
  • DHGM-Na
  • 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)
  • D- Dihydrophenylglycine Dunna Salt

MDL Number

MFCD00196811

Customs Code

2922509090

FAQ

What are the physical and chemical properties of Sodium (2R)-1,4-cyclohexadien-1-yl{[(2Z)-4-methoxy-4-oxo-2-buten-2-yl]amino}acetate (CAS: 26774-89-0)?

Sodium (2R)-1,4-cyclohexadien-1-yl{[(2Z)-4-methoxy-4-oxo-2-buten-2-yl]amino}acetate has a crystalline form and is a white or off-white solid. Its molecular weight is approximately 452.47 g/mol. The compound is soluble in ethanol and methanol, but less soluble in water. It is highly reactive towards strong acids and bases. It can undergo various organic reactions such as esterification, amidation, and nucleophilic substitution.

How is Sodium (2R)-1,4-cyclohexadien-1-yl{[(2Z)-4-methoxy-4-oxo-2-buten-2-yl]amino}acetate (CAS: 26774-89-0) typically synthesized?

Sodium (2R)-1,4-cyclohexadien-1-yl{[(2Z)-4-methoxy-4-oxo-2-buten-2-yl]amino}acetate is typically synthesized via amidation of (2Z)-4-methoxy-4-oxo-2-buten-2-yl chloride with sodium (2R)-1,4-cyclohexadien-1-yl acetate. Commonly used catalysts include triethylamine. The yield is typically around 70-80%, and the reaction is carried out under anhydrous conditions to avoid side reactions.

What industries use Sodium (2R)-1,4-cyclohexadien-1-yl{[(2Z)-4-methoxy-4-oxo-2-buten-2-yl]amino}acetate (CAS: 26774-89-0)?

Sodium (2R)-1,4-cyclohexadien-1-yl{[(2Z)-4-methoxy-4-oxo-2-buten-2-yl]amino}acetate is used in the pharmaceutical industry for the synthesis of novel drugs. It is also utilized in polymer chemistry for the modification of polymer properties. Additionally, it has applications in the development of sensors and semiconductors due to its specific functional groups that can be used for various analytical and electronic purposes.

What precautions should be taken when handling Sodium (2R)-1,4-cyclohexadien-1-yl{[(2Z)-4-methoxy-4-oxo-2-buten-2-yl]amino}acetate (CAS: 26774-89-0)?

When handling Sodium (2R)-1,4-cyclohexadien-1-yl{[(2Z)-4-methoxy-4-oxo-2-buten-2-yl]amino}acetate, it is important to wear personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The reaction should be conducted in a well-ventilated fume hood to avoid inhaling the fumes. Spills should be cleaned up using appropriate absorbent materials and disposed of according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal information.

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